3-amino-N-(4-butoxy-2-methylphenyl)cyclopentane-1-carboxamide

C17H26N2O2 — CID 119739406

IUPAC3-amino-N-(4-butoxy-2-methylphenyl)cyclopentane-1-carboxamide
SMILESCCCCOc1ccc(NC(=O)C2CCC(N)C2)c(C)c1
InChIInChI=1S/C17H26N2O2/c1-3-4-9-21-15-7-8-16(12(2)10-15)19-17(20)13-5-6-14(18)11-13/h7-8,10,13-14H,3-6,9,11,18H2,1-2H3,(H,19,20)
InChIKeyJFZZELNOEBWGSZ-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.24
Rot. Bonds6

About 3-amino-N-(4-butoxy-2-methylphenyl)cyclopentane-1-carboxamide

3-amino-N-(4-butoxy-2-methylphenyl)cyclopentane-1-carboxamide (PubChem CID 119739406) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-amino-N-(4-butoxy-2-methylphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-butoxy-2-methylphenyl)cyclopentane-1-carboxamide
PubChem CID119739406
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-amino-N-(4-butoxy-2-methylphenyl)cyclopentane-1-carboxamide
SMILESCCCCOc1ccc(NC(=O)C2CCC(N)C2)c(C)c1
InChIInChI=1S/C17H26N2O2/c1-3-4-9-21-15-7-8-16(12(2)10-15)19-17(20)13-5-6-14(18)11-13/h7-8,10,13-14H,3-6,9,11,18H2,1-2H3,(H,19,20)
InChIKeyJFZZELNOEBWGSZ-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 60928404
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CID 119753519
N-(2-methyl-4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 119739476
3-amino-N-(2,5-diethoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119686949
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-butoxy-2-methylphenyl)acetamide
CID 119739420
N-[4-(2-methoxyethoxy)-2-methylphenyl]piperidine-4-carboxamide;hydrochloride
CID 119289436
3-amino-N-(4,5-dimethoxy-2-methylphenyl)cyclopentane-1-carboxamide
CID 66009354
3-amino-N-(4-butoxy-2-methylphenyl)propanamide
CID 39353448
3-amino-N-(2,5-dimethylphenyl)cyclopentane-1-carboxamide
CID 66030675
1-(4-butoxy-2-methylphenyl)-3-(4-hydroxycyclohexyl)urea
CID 60554326
3-amino-N-(4-methyl-2-propoxyphenyl)cyclohexane-1-carboxamide
CID 63042176
3-amino-N-(4-propoxyphenyl)cyclohexane-1-carboxamide
CID 63045073

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-butoxy-2-methylphenyl)cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-(4-butoxy-2-methylphenyl)cyclopentane-1-carboxamide (CID 119739406) is 3-amino-N-(4-butoxy-2-methylphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(4-butoxy-2-methylphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-(4-butoxy-2-methylphenyl)cyclopentane-1-carboxamide is CCCCOc1ccc(NC(=O)C2CCC(N)C2)c(C)c1.
What is the InChIKey of 3-amino-N-(4-butoxy-2-methylphenyl)cyclopentane-1-carboxamide?
The InChIKey is JFZZELNOEBWGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-4-9-21-15-7-8-16(12(2)10-15)19-17(20)13-5-6-14(18)11-13/h7-8,10,13-14H,3-6,9,11,18H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-N-(4-butoxy-2-methylphenyl)cyclopentane-1-carboxamide?
3-amino-N-(4-butoxy-2-methylphenyl)cyclopentane-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-butoxy-2-methylphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 119739406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).