1-[[(2S)-2-methyl-4-phenoxybutanoyl]amino]cyclopentane-1-carboxamide

C17H24N2O3 — CID 97087003

IUPAC1-[[(2S)-2-methyl-4-phenoxybutanoyl]amino]cyclopentane-1-carboxamide
SMILESC[C@@H](CCOc1ccccc1)C(=O)NC1(C(N)=O)CCCC1
InChIInChI=1S/C17H24N2O3/c1-13(9-12-22-14-7-3-2-4-8-14)15(20)19-17(16(18)21)10-5-6-11-17/h2-4,7-8,13H,5-6,9-12H2,1H3,(H2,18,21)(H,19,20)/t13-/m0/s1
InChIKeyCYARQBXMNXUPDO-ZDUSSCGKSA-N
MW304.39 g/mol
LogP2.01
Rot. Bonds7

About 1-[[(2S)-2-methyl-4-phenoxybutanoyl]amino]cyclopentane-1-carboxamide

1-[[(2S)-2-methyl-4-phenoxybutanoyl]amino]cyclopentane-1-carboxamide (PubChem CID 97087003) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[[(2S)-2-methyl-4-phenoxybutanoyl]amino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[[(2S)-2-methyl-4-phenoxybutanoyl]amino]cyclopentane-1-carboxamide
PubChem CID97087003
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-[[(2S)-2-methyl-4-phenoxybutanoyl]amino]cyclopentane-1-carboxamide
SMILESC[C@@H](CCOc1ccccc1)C(=O)NC1(C(N)=O)CCCC1
InChIInChI=1S/C17H24N2O3/c1-13(9-12-22-14-7-3-2-4-8-14)15(20)19-17(16(18)21)10-5-6-11-17/h2-4,7-8,13H,5-6,9-12H2,1H3,(H2,18,21)(H,19,20)/t13-/m0/s1
InChIKeyCYARQBXMNXUPDO-ZDUSSCGKSA-N
XLogP2.01
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxycyclopentyl)methyl]-2-methyl-4-phenoxybutanamide
CID 111499089
N-[(1-hydroxycyclobutyl)methyl]-2-methyl-4-phenoxybutanamide
CID 111539402
1-[(3-amino-2-methyl-3-phenylpropanoyl)amino]cyclohexane-1-carboxamide
CID 119735685
2-[(2-methyl-4-phenoxybutanoyl)amino]butanoic acid
CID 119224246
propan-2-yl 2-methyl-4-phenoxybutanoate
CID 174931468
N-(1-carbamothioylcyclopentyl)-3-phenoxypropanamide
CID 61120116
1-[[2-(4-propoxyphenoxy)acetyl]amino]cyclohexane-1-carboxamide
CID 78881239
N-(2-amino-1-cyclopropylethyl)-2-methyl-4-phenoxybutanamide;hydrochloride
CID 119617229
methyl (2R)-2-(methylamino)-4-phenoxybutanoate
CID 165124826
2,2-dimethyl-3-[(2-methyl-4-phenoxybutanoyl)amino]propanoic acid
CID 119250425
(2R)-2-methyl-N-morpholin-4-yl-4-phenoxybutanamide
CID 95901650
2-methyl-N-morpholin-4-yl-4-phenoxybutanamide
CID 71985237

Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-2-methyl-4-phenoxybutanoyl]amino]cyclopentane-1-carboxamide?
The IUPAC name of 1-[[(2S)-2-methyl-4-phenoxybutanoyl]amino]cyclopentane-1-carboxamide (CID 97087003) is 1-[[(2S)-2-methyl-4-phenoxybutanoyl]amino]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-[[(2S)-2-methyl-4-phenoxybutanoyl]amino]cyclopentane-1-carboxamide?
The canonical SMILES for 1-[[(2S)-2-methyl-4-phenoxybutanoyl]amino]cyclopentane-1-carboxamide is C[C@@H](CCOc1ccccc1)C(=O)NC1(C(N)=O)CCCC1.
What is the InChIKey of 1-[[(2S)-2-methyl-4-phenoxybutanoyl]amino]cyclopentane-1-carboxamide?
The InChIKey is CYARQBXMNXUPDO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-13(9-12-22-14-7-3-2-4-8-14)15(20)19-17(16(18)21)10-5-6-11-17/h2-4,7-8,13H,5-6,9-12H2,1H3,(H2,18,21)(H,19,20)/t13-/m0/s1.
What are the key properties of 1-[[(2S)-2-methyl-4-phenoxybutanoyl]amino]cyclopentane-1-carboxamide?
1-[[(2S)-2-methyl-4-phenoxybutanoyl]amino]cyclopentane-1-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-2-methyl-4-phenoxybutanoyl]amino]cyclopentane-1-carboxamide is sourced from PubChem (CID 97087003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).