N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)benzamide;N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-ethoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-3-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-(1H-pyrazol-4-yl)benzamide;N-cyclopentyl-3-[(1R)-1-[2-(dimethylamino)ethyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide

C158H183N25O17 — CID 158456078

About N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)benzamide;N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-ethoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-3-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-(1H-pyrazol-4-yl)benzamide;N-cyclopentyl-3-[(1R)-1-[2-(dimethylamino)ethyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide

N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)benzamide;N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-ethoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-3-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-(1H-pyrazol-4-yl)benzamide;N-cyclopentyl-3-[(1R)-1-[2-(dimethylamino)ethyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide (PubChem CID 158456078) has the molecular formula C158H183N25O17 and a molecular weight of 2704.36 g/mol. Its IUPAC name is N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)benzamide;N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-ethoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-3-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-(1H-pyrazol-4-yl)benzamide;N-cyclopentyl-3-[(1R)-1-[2-(dimethylamino)ethyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide.

Molecular Properties

• Compound Name: N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)benzamide;N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-ethoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-3-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-(1H-pyrazol-4-yl)benzamide;N-cyclopentyl-3-[(1R)-1-[2-(dimethylamino)ethyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide
• PubChem CID: 158456078
• Molecular Formula: C158H183N25O17
• Molecular Weight: 2704.36 g/mol
• Exact Mass: 2702.42
• IUPAC Name: N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)benzamide;N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-ethoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-3-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-(1H-pyrazol-4-yl)benzamide;N-cyclopentyl-3-[(1R)-1-[2-(dimethylamino)ethyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide
• SMILES: CCOc1cc(-c2cn[nH]c2)ccc1C(=O)N[C@H](C)c1cccc(C(=O)NC2CCCC2)c1.CCOc1cc(-c2cn[nH]c2)ccc1C(=O)N[C@H](CO)c1cccc(C(=O)NC2CCCC2)c1.C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)cc1OCCN(C)C)c1cccc(C(=O)NC2CCCC2)c1.C[C@@H](NC(=O)c1cccc(-c2ccncc2)c1)c1cccc(C(=O)NC2CCCC2)c1.C[C@H](c1cccc(C(=O)NC2CCCC2)c1)N(CCN(C)C)C(=O)c1ccc(-c2cn[nH]c2)cc1.O=C(NC1CCCC1)c1cccc([C@@H](CO)NC(=O)c2cccc(-c3cn[nH]c3)c2)c1
• InChI: InChI=1S/C28H35N5O3.C28H35N5O2.C26H30N4O4.C26H30N4O3.C26H27N3O2.C24H26N4O3/c1-19(20-7-6-8-22(15-20)27(34)32-24-9-4-5-10-24)31-28(35)25-12-11-21(23-17-29-30-18-23)16-26(25)36-14-13-33(2)3;1-20(23-7-6-8-24(17-23)27(34)31-26-9-4-5-10-26)33(16-15-32(2)3)28(35)22-13-11-21(12-14-22)25-18-29-30-19-25;1-2-34-24-13-17(20-14-27-28-15-20)10-11-22(24)26(33)30-23(16-31)18-6-5-7-19(12-18)25(32)29-21-8-3-4-9-21;1-3-33-24-14-19(21-15-27-28-16-21)11-12-23(24)26(32)29-17(2)18-7-6-8-20(13-18)25(31)30-22-9-4-5-10-22;1-18(20-6-4-8-22(16-20)26(31)29-24-10-2-3-11-24)28-25(30)23-9-5-7-21(17-23)19-12-14-27-15-13-19;29-15-22(17-6-4-8-19(12-17)23(30)27-21-9-1-2-10-21)28-24(31)18-7-3-5-16(11-18)20-13-25-26-14-20/h6-8,11-12,15-19,24H,4-5,9-10,13-14H2,1-3H3,(H,29,30)(H,31,35)(H,32,34);6-8,11-14,17-20,26H,4-5,9-10,15-16H2,1-3H3,(H,29,30)(H,31,34);5-7,10-15,21,23,31H,2-4,8-9,16H2,1H3,(H,27,28)(H,29,32)(H,30,33);6-8,11-17,22H,3-5,9-10H2,1-2H3,(H,27,28)(H,29,32)(H,30,31);4-9,12-18,24H,2-3,10-11H2,1H3,(H,28,30)(H,29,31);3-8,11-14,21-22,29H,1-2,9-10,15H2,(H,25,26)(H,27,30)(H,28,31)/t19-;20-;23-;17-;18-;22-/m111111/s1
• InChIKey: HEOWGIUFCILEBR-OKZTXRBXSA-N
• XLogP: 25.07
• TPSA: 571.33 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 25
• Rotatable Bonds: 49
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2704.36
LogP ≤ 5	25.07
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)benzamide;N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-ethoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-3-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-(1H-pyrazol-4-yl)benzamide;N-cyclopentyl-3-[(1R)-1-[2-(dimethylamino)ethyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide?

The IUPAC name of N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)benzamide;N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-ethoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-3-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-(1H-pyrazol-4-yl)benzamide;N-cyclopentyl-3-[(1R)-1-[2-(dimethylamino)ethyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide (CID 158456078) is N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)benzamide;N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-ethoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-3-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-(1H-pyrazol-4-yl)benzamide;N-cyclopentyl-3-[(1R)-1-[2-(dimethylamino)ethyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide.

What is the SMILES notation for N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)benzamide;N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-ethoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-3-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-(1H-pyrazol-4-yl)benzamide;N-cyclopentyl-3-[(1R)-1-[2-(dimethylamino)ethyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide?

The canonical SMILES for N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)benzamide;N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-ethoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-3-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-(1H-pyrazol-4-yl)benzamide;N-cyclopentyl-3-[(1R)-1-[2-(dimethylamino)ethyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide is CCOc1cc(-c2cn[nH]c2)ccc1C(=O)N[C@H](C)c1cccc(C(=O)NC2CCCC2)c1.CCOc1cc(-c2cn[nH]c2)ccc1C(=O)N[C@H](CO)c1cccc(C(=O)NC2CCCC2)c1.C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)cc1OCCN(C)C)c1cccc(C(=O)NC2CCCC2)c1.C[C@@H](NC(=O)c1cccc(-c2ccncc2)c1)c1cccc(C(=O)NC2CCCC2)c1.C[C@H](c1cccc(C(=O)NC2CCCC2)c1)N(CCN(C)C)C(=O)c1ccc(-c2cn[nH]c2)cc1.O=C(NC1CCCC1)c1cccc([C@@H](CO)NC(=O)c2cccc(-c3cn[nH]c3)c2)c1.

What is the InChIKey of N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)benzamide;N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-ethoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-3-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-(1H-pyrazol-4-yl)benzamide;N-cyclopentyl-3-[(1R)-1-[2-(dimethylamino)ethyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide?

The InChIKey is HEOWGIUFCILEBR-OKZTXRBXSA-N. The full InChI is InChI=1S/C28H35N5O3.C28H35N5O2.C26H30N4O4.C26H30N4O3.C26H27N3O2.C24H26N4O3/c1-19(20-7-6-8-22(15-20)27(34)32-24-9-4-5-10-24)31-28(35)25-12-11-21(23-17-29-30-18-23)16-26(25)36-14-13-33(2)3;1-20(23-7-6-8-24(17-23)27(34)31-26-9-4-5-10-26)33(16-15-32(2)3)28(35)22-13-11-21(12-14-22)25-18-29-30-19-25;1-2-34-24-13-17(20-14-27-28-15-20)10-11-22(24)26(33)30-23(16-31)18-6-5-7-19(12-18)25(32)29-21-8-3-4-9-21;1-3-33-24-14-19(21-15-27-28-16-21)11-12-23(24)26(32)29-17(2)18-7-6-8-20(13-18)25(31)30-22-9-4-5-10-22;1-18(20-6-4-8-22(16-20)26(31)29-24-10-2-3-11-24)28-25(30)23-9-5-7-21(17-23)19-12-14-27-15-13-19;29-15-22(17-6-4-8-19(12-17)23(30)27-21-9-1-2-10-21)28-24(31)18-7-3-5-16(11-18)20-13-25-26-14-20/h6-8,11-12,15-19,24H,4-5,9-10,13-14H2,1-3H3,(H,29,30)(H,31,35)(H,32,34);6-8,11-14,17-20,26H,4-5,9-10,15-16H2,1-3H3,(H,29,30)(H,31,34);5-7,10-15,21,23,31H,2-4,8-9,16H2,1H3,(H,27,28)(H,29,32)(H,30,33);6-8,11-17,22H,3-5,9-10H2,1-2H3,(H,27,28)(H,29,32)(H,30,31);4-9,12-18,24H,2-3,10-11H2,1H3,(H,28,30)(H,29,31);3-8,11-14,21-22,29H,1-2,9-10,15H2,(H,25,26)(H,27,30)(H,28,31)/t19-;20-;23-;17-;18-;22-/m111111/s1.

What are the key properties of N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)benzamide;N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-ethoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-3-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-(1H-pyrazol-4-yl)benzamide;N-cyclopentyl-3-[(1R)-1-[2-(dimethylamino)ethyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide?

N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)benzamide;N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-ethoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-3-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-(1H-pyrazol-4-yl)benzamide;N-cyclopentyl-3-[(1R)-1-[2-(dimethylamino)ethyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide has a molecular weight of 2704.36 g/mol, XLogP of 25.07, 49 rotatable bonds, 18 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)benzamide;N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-2-ethoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1R)-1-[3-(cyclopentylcarbamoyl)phenyl]ethyl]-3-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethoxy-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-(1H-pyrazol-4-yl)benzamide;N-cyclopentyl-3-[(1R)-1-[2-(dimethylamino)ethyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide is sourced from PubChem (CID 158456078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).