N-[(2S)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide

C22H26N2O3 — CID 6723092

IUPACN-[(2S)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide
SMILESO=C(NCc1ccccc1)[C@H](CO)NC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C22H26N2O3/c25-16-19(20(26)23-15-17-9-3-1-4-10-17)24-21(27)22(13-7-8-14-22)18-11-5-2-6-12-18/h1-6,9-12,19,25H,7-8,13-16H2,(H,23,26)(H,24,27)/t19-/m0/s1
InChIKeyZKWQJHTZQDXWLZ-IBGZPJMESA-N
MW366.46 g/mol
LogP2.29
Rot. Bonds7

About N-[(2S)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide

N-[(2S)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide (PubChem CID 6723092) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[(2S)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide
PubChem CID6723092
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[(2S)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide
SMILESO=C(NCc1ccccc1)[C@H](CO)NC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C22H26N2O3/c25-16-19(20(26)23-15-17-9-3-1-4-10-17)24-21(27)22(13-7-8-14-22)18-11-5-2-6-12-18/h1-6,9-12,19,25H,7-8,13-16H2,(H,23,26)(H,24,27)/t19-/m0/s1
InChIKeyZKWQJHTZQDXWLZ-IBGZPJMESA-N
XLogP2.29
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-1-phenylcyclopropane-1-carboxamide
CID 6723024
N-[1-(cyclooctylamino)-3-hydroxy-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide
CID 4243741
[1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamic acid
CID 77465110
1-phenyl-N-[(2S)-4-phenylbutan-2-yl]cyclopentane-1-carboxamide
CID 1220424
N-[(4-chlorophenyl)methyl]-1-phenylcyclopentane-1-carboxamide
CID 35571496
N-[(2S)-3-hydroxy-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-1-phenylcyclopentane-1-carboxamide
CID 6723090
4-[[(1-phenylcyclohexanecarbonyl)amino]methyl]benzoic acid
CID 134561755
phenyl N-[1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 23940970
(2S)-4-hydroxy-2-[(1-phenylcyclobutanecarbonyl)amino]butanoic acid
CID 107822481
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-phenylcyclopentane-1-carboxamide
CID 79245883
(2R)-3-hydroxy-2-[(4-phenylpiperidine-4-carbonyl)amino]propanoic acid
CID 80756050
2-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]-3-hydroxypropanoic acid
CID 138031119

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide?
The IUPAC name of N-[(2S)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide (CID 6723092) is N-[(2S)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide?
The canonical SMILES for N-[(2S)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide is O=C(NCc1ccccc1)[C@H](CO)NC(=O)C1(c2ccccc2)CCCC1.
What is the InChIKey of N-[(2S)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide?
The InChIKey is ZKWQJHTZQDXWLZ-IBGZPJMESA-N. The full InChI is InChI=1S/C22H26N2O3/c25-16-19(20(26)23-15-17-9-3-1-4-10-17)24-21(27)22(13-7-8-14-22)18-11-5-2-6-12-18/h1-6,9-12,19,25H,7-8,13-16H2,(H,23,26)(H,24,27)/t19-/m0/s1.
What are the key properties of N-[(2S)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide?
N-[(2S)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 2.29, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide is sourced from PubChem (CID 6723092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).