2-amino-3-methyl-N-(1-phenylpropyl)pentanamide

C15H24N2O — CID 62305056

IUPAC2-amino-3-methyl-N-(1-phenylpropyl)pentanamide
SMILESCCC(NC(=O)C(N)C(C)CC)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-4-11(3)14(16)15(18)17-13(5-2)12-9-7-6-8-10-12/h6-11,13-14H,4-5,16H2,1-3H3,(H,17,18)
InChIKeyWXNKVXIXJCMNSK-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.63
Rot. Bonds6

About 2-amino-3-methyl-N-(1-phenylpropyl)pentanamide

2-amino-3-methyl-N-(1-phenylpropyl)pentanamide (PubChem CID 62305056) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(1-phenylpropyl)pentanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-(1-phenylpropyl)pentanamide
PubChem CID62305056
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-amino-3-methyl-N-(1-phenylpropyl)pentanamide
SMILESCCC(NC(=O)C(N)C(C)CC)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-4-11(3)14(16)15(18)17-13(5-2)12-9-7-6-8-10-12/h6-11,13-14H,4-5,16H2,1-3H3,(H,17,18)
InChIKeyWXNKVXIXJCMNSK-UHFFFAOYSA-N
XLogP2.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-amino-3-methylpentanoyl)amino]-4-phenylbutanoic acid
CID 61162447
2-amino-3-methyl-N-[1-(4-methylphenyl)propyl]pentanamide
CID 43707477
2-amino-3-methyl-N-(1-phenylethyl)pentanamide
CID 21475942
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide
CID 11565273
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide;hydrochloride
CID 11565272
2-bromo-N-[(1R)-1-phenylpropyl]propanamide
CID 165438304
(2S)-2-(methylamino)-N-(1-phenylpropyl)propanamide
CID 165438311
(2S,3S)-2-amino-3-methyl-N-(2-phenylpropyl)pentanamide
CID 61251907
(2R)-2-amino-3-phenyl-N-(1-phenylpropyl)propanamide
CID 78988694
(2S,3S)-2-amino-N-[2-(benzhydrylamino)-2-oxoethyl]-3-methylpentanamide
CID 157238222
2-amino-3-methyl-N-[phenyl(thiophen-2-yl)methyl]pentanamide
CID 43708998
3-[(2-amino-3-methylbutanoyl)amino]-3-phenylpropanoic acid
CID 61159314

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(1-phenylpropyl)pentanamide?
The IUPAC name of 2-amino-3-methyl-N-(1-phenylpropyl)pentanamide (CID 62305056) is 2-amino-3-methyl-N-(1-phenylpropyl)pentanamide.
What is the SMILES notation for 2-amino-3-methyl-N-(1-phenylpropyl)pentanamide?
The canonical SMILES for 2-amino-3-methyl-N-(1-phenylpropyl)pentanamide is CCC(NC(=O)C(N)C(C)CC)c1ccccc1.
What is the InChIKey of 2-amino-3-methyl-N-(1-phenylpropyl)pentanamide?
The InChIKey is WXNKVXIXJCMNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-11(3)14(16)15(18)17-13(5-2)12-9-7-6-8-10-12/h6-11,13-14H,4-5,16H2,1-3H3,(H,17,18).
What are the key properties of 2-amino-3-methyl-N-(1-phenylpropyl)pentanamide?
2-amino-3-methyl-N-(1-phenylpropyl)pentanamide has a molecular weight of 248.37 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(1-phenylpropyl)pentanamide is sourced from PubChem (CID 62305056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).