4-[[(1R)-2-[(3S)-3-hydroxycyclopentyl]-1-phenylethyl]-methylamino]-N-propylbenzamide

C24H32N2O2 — CID 135010293

IUPAC4-[[(1R)-2-[(3S)-3-hydroxycyclopentyl]-1-phenylethyl]-methylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(N(C)[C@H](CC2CC[C@H](O)C2)c2ccccc2)cc1
InChIInChI=1S/C24H32N2O2/c1-3-15-25-24(28)20-10-12-21(13-11-20)26(2)23(19-7-5-4-6-8-19)17-18-9-14-22(27)16-18/h4-8,10-13,18,22-23,27H,3,9,14-17H2,1-2H3,(H,25,28)/t18?,22-,23+/m0/s1
InChIKeyMKBOCGXVKBHQKF-AMHZRHSASA-N
MW380.53 g/mol
LogP4.55
Rot. Bonds8

About 4-[[(1R)-2-[(3S)-3-hydroxycyclopentyl]-1-phenylethyl]-methylamino]-N-propylbenzamide

4-[[(1R)-2-[(3S)-3-hydroxycyclopentyl]-1-phenylethyl]-methylamino]-N-propylbenzamide (PubChem CID 135010293) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 4-[[(1R)-2-[(3S)-3-hydroxycyclopentyl]-1-phenylethyl]-methylamino]-N-propylbenzamide.

Molecular Properties

Compound Name4-[[(1R)-2-[(3S)-3-hydroxycyclopentyl]-1-phenylethyl]-methylamino]-N-propylbenzamide
PubChem CID135010293
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name4-[[(1R)-2-[(3S)-3-hydroxycyclopentyl]-1-phenylethyl]-methylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(N(C)[C@H](CC2CC[C@H](O)C2)c2ccccc2)cc1
InChIInChI=1S/C24H32N2O2/c1-3-15-25-24(28)20-10-12-21(13-11-20)26(2)23(19-7-5-4-6-8-19)17-18-9-14-22(27)16-18/h4-8,10-13,18,22-23,27H,3,9,14-17H2,1-2H3,(H,25,28)/t18?,22-,23+/m0/s1
InChIKeyMKBOCGXVKBHQKF-AMHZRHSASA-N
XLogP4.55
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-4-[[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-methylamino]benzamide
CID 57211752
4-[[(1S)-2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-methylamino]-N-propylbenzamide;(2E)-2-methylpenta-2,4-dienoic acid
CID 142276646
4-[methyl(propan-2-yl)amino]-N-propylbenzamide
CID 91434039
4-[[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-methylamino]-N-(3,3,3-trifluoropropyl)benzamide
CID 20640569
4-[[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-methylamino]-N-prop-2-ynylbenzamide
CID 21361724
3-chloro-4-[[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-methylamino]-N-propylbenzamide
CID 22992920
4-[[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-methylamino]-N-(2,2,3,3,3-pentafluoropropyl)benzamide
CID 20640568
4-[[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-methylamino]-N,N-dimethylbenzamide
CID 57208985
N-(2-benzamidoethyl)-4-(dimethylamino)benzamide
CID 38175898
(E)-but-2-enedioic acid;N-propylbenzamide
CID 69498373
4-[methyl(phenyl)sulfamoyl]-N-propylbenzamide
CID 2432115
4-[methyl(methylsulfonyl)amino]-N-propylbenzamide
CID 53279666

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-2-[(3S)-3-hydroxycyclopentyl]-1-phenylethyl]-methylamino]-N-propylbenzamide?
The IUPAC name of 4-[[(1R)-2-[(3S)-3-hydroxycyclopentyl]-1-phenylethyl]-methylamino]-N-propylbenzamide (CID 135010293) is 4-[[(1R)-2-[(3S)-3-hydroxycyclopentyl]-1-phenylethyl]-methylamino]-N-propylbenzamide.
What is the SMILES notation for 4-[[(1R)-2-[(3S)-3-hydroxycyclopentyl]-1-phenylethyl]-methylamino]-N-propylbenzamide?
The canonical SMILES for 4-[[(1R)-2-[(3S)-3-hydroxycyclopentyl]-1-phenylethyl]-methylamino]-N-propylbenzamide is CCCNC(=O)c1ccc(N(C)[C@H](CC2CC[C@H](O)C2)c2ccccc2)cc1.
What is the InChIKey of 4-[[(1R)-2-[(3S)-3-hydroxycyclopentyl]-1-phenylethyl]-methylamino]-N-propylbenzamide?
The InChIKey is MKBOCGXVKBHQKF-AMHZRHSASA-N. The full InChI is InChI=1S/C24H32N2O2/c1-3-15-25-24(28)20-10-12-21(13-11-20)26(2)23(19-7-5-4-6-8-19)17-18-9-14-22(27)16-18/h4-8,10-13,18,22-23,27H,3,9,14-17H2,1-2H3,(H,25,28)/t18?,22-,23+/m0/s1.
What are the key properties of 4-[[(1R)-2-[(3S)-3-hydroxycyclopentyl]-1-phenylethyl]-methylamino]-N-propylbenzamide?
4-[[(1R)-2-[(3S)-3-hydroxycyclopentyl]-1-phenylethyl]-methylamino]-N-propylbenzamide has a molecular weight of 380.53 g/mol, XLogP of 4.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-2-[(3S)-3-hydroxycyclopentyl]-1-phenylethyl]-methylamino]-N-propylbenzamide is sourced from PubChem (CID 135010293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).