3-amino-N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]benzamide;3-cyclohexyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]propanamide;3-cyclohexyl-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]propanamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;(2R)-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide;(2S)-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide;(2R)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide

C151H183N19O18 — CID 160539708

About 3-amino-N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]benzamide;3-cyclohexyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]propanamide;3-cyclohexyl-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]propanamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;(2R)-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide;(2S)-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide;(2R)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide

3-amino-N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]benzamide;3-cyclohexyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]propanamide;3-cyclohexyl-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]propanamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;(2R)-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide;(2S)-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide;(2R)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide (PubChem CID 160539708) has the molecular formula C151H183N19O18 and a molecular weight of 2552.24 g/mol. Its IUPAC name is 3-amino-N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]benzamide;3-cyclohexyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]propanamide;3-cyclohexyl-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]propanamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;(2R)-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide;(2S)-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide;(2R)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide.

Molecular Properties

• Compound Name: 3-amino-N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]benzamide;3-cyclohexyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]propanamide;3-cyclohexyl-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]propanamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;(2R)-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide;(2S)-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide;(2R)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide
• PubChem CID: 160539708
• Molecular Formula: C151H183N19O18
• Molecular Weight: 2552.24 g/mol
• Exact Mass: 2550.40
• IUPAC Name: 3-amino-N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]benzamide;3-cyclohexyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]propanamide;3-cyclohexyl-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]propanamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;(2R)-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide;(2S)-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide;(2R)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide
• SMILES: C[C@@H](Oc1cccc2cccnc12)C(=O)NC[C@@H](O)CN1Cc2ccccc2C1.C[C@@H](Oc1cccc2cccnc12)C(=O)NC[C@H](O)CN1Cc2ccccc2C1.C[C@H](Oc1cccc2cccnc12)C(=O)NC[C@H](O)CN1Cc2ccccc2C1.Nc1cccc(C(=O)NCC(O)CN2Cc3ccccc3C2)c1.O=C(CCC1CCCCC1)NC[C@@H](O)CN1CCc2ccccc2C1.O=C(CCC1CCCCC1)NC[C@H](O)CN1CCc2ccccc2C1.O=C(COc1cccc2cccnc12)NC[C@H](O)CN1Cc2ccccc2C1
• InChI: InChI=1S/3C23H25N3O3.C22H23N3O3.2C21H32N2O2.C18H21N3O2/c3*1-16(29-21-10-4-8-17-9-5-11-24-22(17)21)23(28)25-12-20(27)15-26-13-18-6-2-3-7-19(18)14-26;26-19(14-25-12-17-5-1-2-6-18(17)13-25)11-24-21(27)15-28-20-9-3-7-16-8-4-10-23-22(16)20;2*24-20(14-22-21(25)11-10-17-6-2-1-3-7-17)16-23-13-12-18-8-4-5-9-19(18)15-23;19-16-7-3-6-13(8-16)18(23)20-9-17(22)12-21-10-14-4-1-2-5-15(14)11-21/h3*2-11,16,20,27H,12-15H2,1H3,(H,25,28);1-10,19,26H,11-15H2,(H,24,27);2*4-5,8-9,17,20,24H,1-3,6-7,10-16H2,(H,22,25);1-8,17,22H,9-12,19H2,(H,20,23)/t16-,20+;2*16-,20-;19-;2*20-;/m110010./s1
• InChIKey: QWPVPSDZYAHSTP-VLGGABQFSA-N
• XLogP: 16.73
• TPSA: 482.49 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 30
• Rotatable Bonds: 47
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2552.24
LogP ≤ 5	16.73
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]benzamide;3-cyclohexyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]propanamide;3-cyclohexyl-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]propanamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;(2R)-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide;(2S)-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide;(2R)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide?

The IUPAC name of 3-amino-N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]benzamide;3-cyclohexyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]propanamide;3-cyclohexyl-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]propanamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;(2R)-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide;(2S)-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide;(2R)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide (CID 160539708) is 3-amino-N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]benzamide;3-cyclohexyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]propanamide;3-cyclohexyl-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]propanamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;(2R)-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide;(2S)-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide;(2R)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide.

What is the SMILES notation for 3-amino-N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]benzamide;3-cyclohexyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]propanamide;3-cyclohexyl-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]propanamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;(2R)-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide;(2S)-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide;(2R)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide?

The canonical SMILES for 3-amino-N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]benzamide;3-cyclohexyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]propanamide;3-cyclohexyl-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]propanamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;(2R)-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide;(2S)-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide;(2R)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide is C[C@@H](Oc1cccc2cccnc12)C(=O)NC[C@@H](O)CN1Cc2ccccc2C1.C[C@@H](Oc1cccc2cccnc12)C(=O)NC[C@H](O)CN1Cc2ccccc2C1.C[C@H](Oc1cccc2cccnc12)C(=O)NC[C@H](O)CN1Cc2ccccc2C1.Nc1cccc(C(=O)NCC(O)CN2Cc3ccccc3C2)c1.O=C(CCC1CCCCC1)NC[C@@H](O)CN1CCc2ccccc2C1.O=C(CCC1CCCCC1)NC[C@H](O)CN1CCc2ccccc2C1.O=C(COc1cccc2cccnc12)NC[C@H](O)CN1Cc2ccccc2C1.

What is the InChIKey of 3-amino-N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]benzamide;3-cyclohexyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]propanamide;3-cyclohexyl-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]propanamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;(2R)-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide;(2S)-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide;(2R)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide?

The InChIKey is QWPVPSDZYAHSTP-VLGGABQFSA-N. The full InChI is InChI=1S/3C23H25N3O3.C22H23N3O3.2C21H32N2O2.C18H21N3O2/c3*1-16(29-21-10-4-8-17-9-5-11-24-22(17)21)23(28)25-12-20(27)15-26-13-18-6-2-3-7-19(18)14-26;26-19(14-25-12-17-5-1-2-6-18(17)13-25)11-24-21(27)15-28-20-9-3-7-16-8-4-10-23-22(16)20;2*24-20(14-22-21(25)11-10-17-6-2-1-3-7-17)16-23-13-12-18-8-4-5-9-19(18)15-23;19-16-7-3-6-13(8-16)18(23)20-9-17(22)12-21-10-14-4-1-2-5-15(14)11-21/h3*2-11,16,20,27H,12-15H2,1H3,(H,25,28);1-10,19,26H,11-15H2,(H,24,27);2*4-5,8-9,17,20,24H,1-3,6-7,10-16H2,(H,22,25);1-8,17,22H,9-12,19H2,(H,20,23)/t16-,20+;2*16-,20-;19-;2*20-;/m110010./s1.

What are the key properties of 3-amino-N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]benzamide;3-cyclohexyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]propanamide;3-cyclohexyl-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]propanamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;(2R)-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide;(2S)-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide;(2R)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide?

3-amino-N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]benzamide;3-cyclohexyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]propanamide;3-cyclohexyl-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]propanamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;(2R)-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide;(2S)-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide;(2R)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide has a molecular weight of 2552.24 g/mol, XLogP of 16.73, 47 rotatable bonds, 15 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]benzamide;3-cyclohexyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]propanamide;3-cyclohexyl-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]propanamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;(2R)-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide;(2S)-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide;(2R)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide is sourced from PubChem (CID 160539708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).