3-amino-N-(2-ethyl-1-phenylbutyl)cyclopentane-1-carboxamide

C18H28N2O — CID 66007495

IUPAC3-amino-N-(2-ethyl-1-phenylbutyl)cyclopentane-1-carboxamide
SMILESCCC(CC)C(NC(=O)C1CCC(N)C1)c1ccccc1
InChIInChI=1S/C18H28N2O/c1-3-13(4-2)17(14-8-6-5-7-9-14)20-18(21)15-10-11-16(19)12-15/h5-9,13,15-17H,3-4,10-12,19H2,1-2H3,(H,20,21)
InChIKeyBMYSSQBNDAVNTR-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.41
Rot. Bonds6

About 3-amino-N-(2-ethyl-1-phenylbutyl)cyclopentane-1-carboxamide

3-amino-N-(2-ethyl-1-phenylbutyl)cyclopentane-1-carboxamide (PubChem CID 66007495) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-amino-N-(2-ethyl-1-phenylbutyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-ethyl-1-phenylbutyl)cyclopentane-1-carboxamide
PubChem CID66007495
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name3-amino-N-(2-ethyl-1-phenylbutyl)cyclopentane-1-carboxamide
SMILESCCC(CC)C(NC(=O)C1CCC(N)C1)c1ccccc1
InChIInChI=1S/C18H28N2O/c1-3-13(4-2)17(14-8-6-5-7-9-14)20-18(21)15-10-11-16(19)12-15/h5-9,13,15-17H,3-4,10-12,19H2,1-2H3,(H,20,21)
InChIKeyBMYSSQBNDAVNTR-UHFFFAOYSA-N
XLogP3.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(4-hydroxy-4-phenylbutan-2-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119808297
N-(2-ethyl-1-phenylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 78982591
3-amino-N-[2-methyl-1-(4-propylphenyl)propyl]cyclopentane-1-carboxamide
CID 119692874
3-amino-N-[2-(diethylamino)-2-phenylethyl]cyclopentane-1-carboxamide
CID 119399183
3-amino-N-[1-(2-phenylbutanoyl)piperidin-4-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119763637
methyl 2-[(3-aminocyclopentanecarbonyl)amino]-3-phenylpropanoate;hydrochloride
CID 119726356
3-amino-N-(1-phenylhexan-3-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119802836
3-amino-N-(2,2-dimethyl-1-phenylpropyl)cyclohexane-1-carboxamide
CID 63043944
1-(4-bromobenzoyl)-N-(2-ethyl-1-phenylbutyl)piperidine-4-carboxamide
CID 55763251
3-amino-N-[2-(dimethylamino)-1-phenylethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119836139
(2S,3S)-2-[(3-aminocyclopentanecarbonyl)amino]-3-methylpentanoic acid
CID 66010236
3-amino-N-[1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 66008581

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-ethyl-1-phenylbutyl)cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-(2-ethyl-1-phenylbutyl)cyclopentane-1-carboxamide (CID 66007495) is 3-amino-N-(2-ethyl-1-phenylbutyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(2-ethyl-1-phenylbutyl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-(2-ethyl-1-phenylbutyl)cyclopentane-1-carboxamide is CCC(CC)C(NC(=O)C1CCC(N)C1)c1ccccc1.
What is the InChIKey of 3-amino-N-(2-ethyl-1-phenylbutyl)cyclopentane-1-carboxamide?
The InChIKey is BMYSSQBNDAVNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-13(4-2)17(14-8-6-5-7-9-14)20-18(21)15-10-11-16(19)12-15/h5-9,13,15-17H,3-4,10-12,19H2,1-2H3,(H,20,21).
What are the key properties of 3-amino-N-(2-ethyl-1-phenylbutyl)cyclopentane-1-carboxamide?
3-amino-N-(2-ethyl-1-phenylbutyl)cyclopentane-1-carboxamide has a molecular weight of 288.44 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-ethyl-1-phenylbutyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 66007495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).