N-cyclopentyl-3-methyl-2-[(2-phenylacetyl)amino]butanamide

C18H26N2O2 — CID 42909311

IUPACN-cyclopentyl-3-methyl-2-[(2-phenylacetyl)amino]butanamide
SMILESCC(C)C(NC(=O)Cc1ccccc1)C(=O)NC1CCCC1
InChIInChI=1S/C18H26N2O2/c1-13(2)17(18(22)19-15-10-6-7-11-15)20-16(21)12-14-8-4-3-5-9-14/h3-5,8-9,13,15,17H,6-7,10-12H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyVHNDKNSJDXQYBC-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.43
Rot. Bonds6

About N-cyclopentyl-3-methyl-2-[(2-phenylacetyl)amino]butanamide

N-cyclopentyl-3-methyl-2-[(2-phenylacetyl)amino]butanamide (PubChem CID 42909311) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-cyclopentyl-3-methyl-2-[(2-phenylacetyl)amino]butanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-methyl-2-[(2-phenylacetyl)amino]butanamide
PubChem CID42909311
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-cyclopentyl-3-methyl-2-[(2-phenylacetyl)amino]butanamide
SMILESCC(C)C(NC(=O)Cc1ccccc1)C(=O)NC1CCCC1
InChIInChI=1S/C18H26N2O2/c1-13(2)17(18(22)19-15-10-6-7-11-15)20-16(21)12-14-8-4-3-5-9-14/h3-5,8-9,13,15,17H,6-7,10-12H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyVHNDKNSJDXQYBC-UHFFFAOYSA-N
XLogP2.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(cycloheptylamino)ethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 119619459
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride
CID 119455708
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 55324727
N-[2-(aminomethyl)cyclopentyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride
CID 119601158
N-cyclopentyl-2-phenylacetamide;hydrochloride
CID 69292876
N-[4-(cyclopentylmethylamino)phenyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 56533856
N-(1-benzylpiperidin-4-yl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide
CID 17471908
N-[(2S)-1-[2-(cyclopentylcarbamothioyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-phenoxyacetamide
CID 9147191
(2R)-N-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 94733041
N-[(2S)-1-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 41097168
N-[(2S)-1-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 7102293
N-(2-aminoethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride
CID 119382456

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-methyl-2-[(2-phenylacetyl)amino]butanamide?
The IUPAC name of N-cyclopentyl-3-methyl-2-[(2-phenylacetyl)amino]butanamide (CID 42909311) is N-cyclopentyl-3-methyl-2-[(2-phenylacetyl)amino]butanamide.
What is the SMILES notation for N-cyclopentyl-3-methyl-2-[(2-phenylacetyl)amino]butanamide?
The canonical SMILES for N-cyclopentyl-3-methyl-2-[(2-phenylacetyl)amino]butanamide is CC(C)C(NC(=O)Cc1ccccc1)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-3-methyl-2-[(2-phenylacetyl)amino]butanamide?
The InChIKey is VHNDKNSJDXQYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13(2)17(18(22)19-15-10-6-7-11-15)20-16(21)12-14-8-4-3-5-9-14/h3-5,8-9,13,15,17H,6-7,10-12H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-cyclopentyl-3-methyl-2-[(2-phenylacetyl)amino]butanamide?
N-cyclopentyl-3-methyl-2-[(2-phenylacetyl)amino]butanamide has a molecular weight of 302.42 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-methyl-2-[(2-phenylacetyl)amino]butanamide is sourced from PubChem (CID 42909311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).