(3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-phenylpropanamide;(3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-phenylpropanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-3-ylbutanamide;4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-3-ylbutanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyrimidin-5-ylbutanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-4-ylpropanamide

C138H183F2N17O12 — CID 167710186

About (3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-phenylpropanamide;(3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-phenylpropanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-3-ylbutanamide;4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-3-ylbutanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyrimidin-5-ylbutanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-4-ylpropanamide

(3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-phenylpropanamide;(3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-phenylpropanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-3-ylbutanamide;4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-3-ylbutanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyrimidin-5-ylbutanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-4-ylpropanamide (PubChem CID 167710186) has the molecular formula C138H183F2N17O12 and a molecular weight of 2310.08 g/mol. Its IUPAC name is (3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-phenylpropanamide;(3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-phenylpropanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-3-ylbutanamide;4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-3-ylbutanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyrimidin-5-ylbutanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-4-ylpropanamide.

Molecular Properties

• Compound Name: (3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-phenylpropanamide;(3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-phenylpropanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-3-ylbutanamide;4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-3-ylbutanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyrimidin-5-ylbutanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-4-ylpropanamide
• PubChem CID: 167710186
• Molecular Formula: C138H183F2N17O12
• Molecular Weight: 2310.08 g/mol
• Exact Mass: 2308.42
• IUPAC Name: (3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-phenylpropanamide;(3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-phenylpropanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-3-ylbutanamide;4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-3-ylbutanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyrimidin-5-ylbutanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-4-ylpropanamide
• SMILES: CN(C)[C@H](CNC(=O)CC(CC1CC1)c1cccnc1)Cc1ccc(O)cc1.CN(C)[C@H](CNC(=O)CC(CC1CC1)c1cccnc1)Cc1ccc(O)cc1.CN(C)[C@H](CNC(=O)CC(c1ccncc1)C1(C(C)(F)F)CC1)Cc1ccc(O)cc1.CN(C)[C@H](CNC(=O)C[C@@H](CC1CC1)c1cncnc1)Cc1ccc(O)cc1.CN(C)[C@H](CNC(=O)C[C@@H](c1ccccc1)C1CC1)Cc1ccc(O)cc1.CN(C)[C@H](CNC(=O)C[C@H](c1ccccc1)C1CC1)Cc1ccc(O)cc1
• InChI: InChI=1S/C24H31F2N3O2.2C23H31N3O2.2C23H30N2O2.C22H30N4O2/c1-23(25,26)24(10-11-24)21(18-8-12-27-13-9-18)15-22(31)28-16-19(29(2)3)14-17-4-6-20(30)7-5-17;2*1-26(2)21(13-18-7-9-22(27)10-8-18)16-25-23(28)14-20(12-17-5-6-17)19-4-3-11-24-15-19;2*1-25(2)20(14-17-8-12-21(26)13-9-17)16-24-23(27)15-22(19-10-11-19)18-6-4-3-5-7-18;1-26(2)20(10-17-5-7-21(27)8-6-17)14-25-22(28)11-18(9-16-3-4-16)19-12-23-15-24-13-19/h4-9,12-13,19,21,30H,10-11,14-16H2,1-3H3,(H,28,31);2*3-4,7-11,15,17,20-21,27H,5-6,12-14,16H2,1-2H3,(H,25,28);2*3-9,12-13,19-20,22,26H,10-11,14-16H2,1-2H3,(H,24,27);5-8,12-13,15-16,18,20,27H,3-4,9-11,14H2,1-2H3,(H,25,28)/t19-,21?;2*20?,21-;20-,22+;20-,22-;18-,20+/m000001/s1
• InChIKey: ZSCCNCMLIAMRLP-RAUAZFCUSA-N
• XLogP: 20.56
• TPSA: 379.87 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 23
• Rotatable Bonds: 58
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2310.08
LogP ≤ 5	20.56
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of (3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-phenylpropanamide;(3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-phenylpropanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-3-ylbutanamide;4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-3-ylbutanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyrimidin-5-ylbutanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-4-ylpropanamide?

The IUPAC name of (3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-phenylpropanamide;(3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-phenylpropanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-3-ylbutanamide;4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-3-ylbutanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyrimidin-5-ylbutanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-4-ylpropanamide (CID 167710186) is (3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-phenylpropanamide;(3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-phenylpropanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-3-ylbutanamide;4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-3-ylbutanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyrimidin-5-ylbutanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-4-ylpropanamide.

What is the SMILES notation for (3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-phenylpropanamide;(3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-phenylpropanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-3-ylbutanamide;4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-3-ylbutanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyrimidin-5-ylbutanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-4-ylpropanamide?

The canonical SMILES for (3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-phenylpropanamide;(3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-phenylpropanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-3-ylbutanamide;4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-3-ylbutanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyrimidin-5-ylbutanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-4-ylpropanamide is CN(C)[C@H](CNC(=O)CC(CC1CC1)c1cccnc1)Cc1ccc(O)cc1.CN(C)[C@H](CNC(=O)CC(CC1CC1)c1cccnc1)Cc1ccc(O)cc1.CN(C)[C@H](CNC(=O)CC(c1ccncc1)C1(C(C)(F)F)CC1)Cc1ccc(O)cc1.CN(C)[C@H](CNC(=O)C[C@@H](CC1CC1)c1cncnc1)Cc1ccc(O)cc1.CN(C)[C@H](CNC(=O)C[C@@H](c1ccccc1)C1CC1)Cc1ccc(O)cc1.CN(C)[C@H](CNC(=O)C[C@H](c1ccccc1)C1CC1)Cc1ccc(O)cc1.

What is the InChIKey of (3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-phenylpropanamide;(3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-phenylpropanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-3-ylbutanamide;4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-3-ylbutanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyrimidin-5-ylbutanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-4-ylpropanamide?

The InChIKey is ZSCCNCMLIAMRLP-RAUAZFCUSA-N. The full InChI is InChI=1S/C24H31F2N3O2.2C23H31N3O2.2C23H30N2O2.C22H30N4O2/c1-23(25,26)24(10-11-24)21(18-8-12-27-13-9-18)15-22(31)28-16-19(29(2)3)14-17-4-6-20(30)7-5-17;2*1-26(2)21(13-18-7-9-22(27)10-8-18)16-25-23(28)14-20(12-17-5-6-17)19-4-3-11-24-15-19;2*1-25(2)20(14-17-8-12-21(26)13-9-17)16-24-23(27)15-22(19-10-11-19)18-6-4-3-5-7-18;1-26(2)20(10-17-5-7-21(27)8-6-17)14-25-22(28)11-18(9-16-3-4-16)19-12-23-15-24-13-19/h4-9,12-13,19,21,30H,10-11,14-16H2,1-3H3,(H,28,31);2*3-4,7-11,15,17,20-21,27H,5-6,12-14,16H2,1-2H3,(H,25,28);2*3-9,12-13,19-20,22,26H,10-11,14-16H2,1-2H3,(H,24,27);5-8,12-13,15-16,18,20,27H,3-4,9-11,14H2,1-2H3,(H,25,28)/t19-,21?;2*20?,21-;20-,22+;20-,22-;18-,20+/m000001/s1.

What are the key properties of (3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-phenylpropanamide;(3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-phenylpropanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-3-ylbutanamide;4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-3-ylbutanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyrimidin-5-ylbutanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-4-ylpropanamide?

(3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-phenylpropanamide;(3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-phenylpropanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-3-ylbutanamide;4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-3-ylbutanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyrimidin-5-ylbutanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-4-ylpropanamide has a molecular weight of 2310.08 g/mol, XLogP of 20.56, 58 rotatable bonds, 12 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-phenylpropanamide;(3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-phenylpropanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-3-ylbutanamide;4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-3-ylbutanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyrimidin-5-ylbutanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 167710186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).