3-amino-N-[cyclopentyl(phenyl)methyl]butanamide

C16H24N2O — CID 119737377

IUPAC3-amino-N-[cyclopentyl(phenyl)methyl]butanamide
SMILESCC(N)CC(=O)NC(c1ccccc1)C1CCCC1
InChIInChI=1S/C16H24N2O/c1-12(17)11-15(19)18-16(14-9-5-6-10-14)13-7-3-2-4-8-13/h2-4,7-8,12,14,16H,5-6,9-11,17H2,1H3,(H,18,19)
InChIKeyMVLADUIROWZICX-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.77
Rot. Bonds5

About 3-amino-N-[cyclopentyl(phenyl)methyl]butanamide

3-amino-N-[cyclopentyl(phenyl)methyl]butanamide (PubChem CID 119737377) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-amino-N-[cyclopentyl(phenyl)methyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[cyclopentyl(phenyl)methyl]butanamide
PubChem CID119737377
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-amino-N-[cyclopentyl(phenyl)methyl]butanamide
SMILESCC(N)CC(=O)NC(c1ccccc1)C1CCCC1
InChIInChI=1S/C16H24N2O/c1-12(17)11-15(19)18-16(14-9-5-6-10-14)13-7-3-2-4-8-13/h2-4,7-8,12,14,16H,5-6,9-11,17H2,1H3,(H,18,19)
InChIKeyMVLADUIROWZICX-UHFFFAOYSA-N
XLogP2.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[cyclobutyl(phenyl)methyl]-3-phenylpropanamide
CID 119951252
3-amino-N-[(4-chlorophenyl)-cyclopropylmethyl]butanamide
CID 119689399
3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide
CID 61252828
3-amino-N-[cyclopropyl-[4-(2-methylpropyl)phenyl]methyl]butanamide
CID 119763696
4-amino-N-[cyclobutyl(phenyl)methyl]-3-methoxybutanamide;hydrochloride
CID 120591726
3-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]-3-phenylpropanamide;hydrochloride
CID 119951249
N-[(S)-cyclohexyl(phenyl)methyl]-2-ethylsulfonylacetamide
CID 94493852
3-chloro-N-[cyclohexyl(phenyl)methyl]propanamide
CID 14208386
2-acetamido-N-[2-[[cyclohexyl(phenyl)methyl]amino]-2-oxoethyl]acetamide
CID 51091250
N-[cyclopentyl(phenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 2964253
(2S)-N-[(R)-cyclopentyl(phenyl)methyl]-3-methyl-2-phenylbutanamide
CID 7447883
N-[cyclobutyl(phenyl)methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111538084

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[cyclopentyl(phenyl)methyl]butanamide?
The IUPAC name of 3-amino-N-[cyclopentyl(phenyl)methyl]butanamide (CID 119737377) is 3-amino-N-[cyclopentyl(phenyl)methyl]butanamide.
What is the SMILES notation for 3-amino-N-[cyclopentyl(phenyl)methyl]butanamide?
The canonical SMILES for 3-amino-N-[cyclopentyl(phenyl)methyl]butanamide is CC(N)CC(=O)NC(c1ccccc1)C1CCCC1.
What is the InChIKey of 3-amino-N-[cyclopentyl(phenyl)methyl]butanamide?
The InChIKey is MVLADUIROWZICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(17)11-15(19)18-16(14-9-5-6-10-14)13-7-3-2-4-8-13/h2-4,7-8,12,14,16H,5-6,9-11,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-N-[cyclopentyl(phenyl)methyl]butanamide?
3-amino-N-[cyclopentyl(phenyl)methyl]butanamide has a molecular weight of 260.38 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[cyclopentyl(phenyl)methyl]butanamide is sourced from PubChem (CID 119737377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).