3-amino-N-methyl-N-(4-phenylbutyl)cyclopentane-1-carboxamide

C17H26N2O — CID 66009595

IUPAC3-amino-N-methyl-N-(4-phenylbutyl)cyclopentane-1-carboxamide
SMILESCN(CCCCc1ccccc1)C(=O)C1CCC(N)C1
InChIInChI=1S/C17H26N2O/c1-19(17(20)15-10-11-16(18)13-15)12-6-5-9-14-7-3-2-4-8-14/h2-4,7-8,15-16H,5-6,9-13,18H2,1H3
InChIKeyNSVAPNJHWRQUIH-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.60
Rot. Bonds6

About 3-amino-N-methyl-N-(4-phenylbutyl)cyclopentane-1-carboxamide

3-amino-N-methyl-N-(4-phenylbutyl)cyclopentane-1-carboxamide (PubChem CID 66009595) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(4-phenylbutyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(4-phenylbutyl)cyclopentane-1-carboxamide
PubChem CID66009595
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-amino-N-methyl-N-(4-phenylbutyl)cyclopentane-1-carboxamide
SMILESCN(CCCCc1ccccc1)C(=O)C1CCC(N)C1
InChIInChI=1S/C17H26N2O/c1-19(17(20)15-10-11-16(18)13-15)12-6-5-9-14-7-3-2-4-8-14/h2-4,7-8,15-16H,5-6,9-13,18H2,1H3
InChIKeyNSVAPNJHWRQUIH-UHFFFAOYSA-N
XLogP2.60
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-methyl-N-(4-phenylbutyl)cyclohexane-1-carboxamide;hydrochloride
CID 119733701
trans-(1R,3R)-3-amino-N-methyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide
CID 97123271
3-amino-N-methyl-N-(2-phenylethyl)cyclobutane-1-carboxamide
CID 115161711
N,2-dimethyl-N-(4-phenylbutyl)piperidine-4-carboxamide
CID 106739419
3-amino-N-benzyl-N-(2-phenylethyl)cyclopentane-1-carboxamide
CID 119675945
3-amino-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]cyclopentane-1-carboxamide;hydrochloride
CID 119737084
4-[(3-aminocyclopentanecarbonyl)-methylamino]butanoic acid
CID 66009609
3-amino-N-(2-phenylethyl)-N-prop-2-enylcyclopentane-1-carboxamide
CID 119033370
cis-(1R,3S)-3-amino-N-(2-phenylethyl)-N-prop-2-enylcyclopentane-1-carboxamide
CID 100645426
3-amino-N-benzyl-N-(4-methoxybutyl)cyclopentane-1-carboxamide
CID 119752506
N-methyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 43588756
3-amino-N-methyl-N-(3-phenoxypropyl)cyclohexane-1-carboxamide;hydrochloride
CID 119731934

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(4-phenylbutyl)cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-(4-phenylbutyl)cyclopentane-1-carboxamide (CID 66009595) is 3-amino-N-methyl-N-(4-phenylbutyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-(4-phenylbutyl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-(4-phenylbutyl)cyclopentane-1-carboxamide is CN(CCCCc1ccccc1)C(=O)C1CCC(N)C1.
What is the InChIKey of 3-amino-N-methyl-N-(4-phenylbutyl)cyclopentane-1-carboxamide?
The InChIKey is NSVAPNJHWRQUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-19(17(20)15-10-11-16(18)13-15)12-6-5-9-14-7-3-2-4-8-14/h2-4,7-8,15-16H,5-6,9-13,18H2,1H3.
What are the key properties of 3-amino-N-methyl-N-(4-phenylbutyl)cyclopentane-1-carboxamide?
3-amino-N-methyl-N-(4-phenylbutyl)cyclopentane-1-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(4-phenylbutyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 66009595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).