1-amino-N-[4-(4-methoxyphenyl)butan-2-yl]cyclopentane-1-carboxamide

C17H26N2O2 — CID 119288107

IUPAC1-amino-N-[4-(4-methoxyphenyl)butan-2-yl]cyclopentane-1-carboxamide
SMILESCOc1ccc(CCC(C)NC(=O)C2(N)CCCC2)cc1
InChIInChI=1S/C17H26N2O2/c1-13(19-16(20)17(18)11-3-4-12-17)5-6-14-7-9-15(21-2)10-8-14/h7-10,13H,3-6,11-12,18H2,1-2H3,(H,19,20)
InChIKeyPHNSQFABKVMNKH-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.40
Rot. Bonds6

About 1-amino-N-[4-(4-methoxyphenyl)butan-2-yl]cyclopentane-1-carboxamide

1-amino-N-[4-(4-methoxyphenyl)butan-2-yl]cyclopentane-1-carboxamide (PubChem CID 119288107) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-amino-N-[4-(4-methoxyphenyl)butan-2-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[4-(4-methoxyphenyl)butan-2-yl]cyclopentane-1-carboxamide
PubChem CID119288107
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-amino-N-[4-(4-methoxyphenyl)butan-2-yl]cyclopentane-1-carboxamide
SMILESCOc1ccc(CCC(C)NC(=O)C2(N)CCCC2)cc1
InChIInChI=1S/C17H26N2O2/c1-13(19-16(20)17(18)11-3-4-12-17)5-6-14-7-9-15(21-2)10-8-14/h7-10,13H,3-6,11-12,18H2,1-2H3,(H,19,20)
InChIKeyPHNSQFABKVMNKH-UHFFFAOYSA-N
XLogP2.40
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-(4-phenylbutan-2-yl)cyclopentane-1-carboxamide
CID 61251912
(2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-methoxyphenyl)propanoic acid
CID 139663590
2-amino-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide
CID 119288095
1-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]cyclopentane-1-carboxamide
CID 119319826
1-amino-N-(4-methoxybutan-2-yl)cyclopentane-1-carboxamide
CID 64606072
ethyl 2-[4-(4-methoxyphenyl)butan-2-ylamino]-2-oxoacetate
CID 54351907
methyl (2S)-2-[4-(4-methoxyphenyl)butan-2-ylamino]-3-methylbutanoate
CID 43776073
1-amino-N-[(4-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 54869116
1-amino-N-[1-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119706519
butyl (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-methoxyphenyl)propanoate
CID 10737366
4-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)oxane-4-carboxamide
CID 4250680
1-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide
CID 61253218

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-(4-methoxyphenyl)butan-2-yl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[4-(4-methoxyphenyl)butan-2-yl]cyclopentane-1-carboxamide (CID 119288107) is 1-amino-N-[4-(4-methoxyphenyl)butan-2-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[4-(4-methoxyphenyl)butan-2-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[4-(4-methoxyphenyl)butan-2-yl]cyclopentane-1-carboxamide is COc1ccc(CCC(C)NC(=O)C2(N)CCCC2)cc1.
What is the InChIKey of 1-amino-N-[4-(4-methoxyphenyl)butan-2-yl]cyclopentane-1-carboxamide?
The InChIKey is PHNSQFABKVMNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(19-16(20)17(18)11-3-4-12-17)5-6-14-7-9-15(21-2)10-8-14/h7-10,13H,3-6,11-12,18H2,1-2H3,(H,19,20).
What are the key properties of 1-amino-N-[4-(4-methoxyphenyl)butan-2-yl]cyclopentane-1-carboxamide?
1-amino-N-[4-(4-methoxyphenyl)butan-2-yl]cyclopentane-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-(4-methoxyphenyl)butan-2-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119288107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).