(2S)-2-amino-4-methyl-N-(3-phenylpropyl)pentanamide

C15H24N2O — CID 22691113

IUPAC(2S)-2-amino-4-methyl-N-(3-phenylpropyl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCCCc1ccccc1
InChIInChI=1S/C15H24N2O/c1-12(2)11-14(16)15(18)17-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12,14H,6,9-11,16H2,1-2H3,(H,17,18)/t14-/m0/s1
InChIKeyLLOTYCAERBRPRS-AWEZNQCLSA-N
MW248.37 g/mol
LogP2.11
Rot. Bonds7

About (2S)-2-amino-4-methyl-N-(3-phenylpropyl)pentanamide

(2S)-2-amino-4-methyl-N-(3-phenylpropyl)pentanamide (PubChem CID 22691113) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-(3-phenylpropyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-(3-phenylpropyl)pentanamide
PubChem CID22691113
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(2S)-2-amino-4-methyl-N-(3-phenylpropyl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCCCc1ccccc1
InChIInChI=1S/C15H24N2O/c1-12(2)11-14(16)15(18)17-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12,14H,6,9-11,16H2,1-2H3,(H,17,18)/t14-/m0/s1
InChIKeyLLOTYCAERBRPRS-AWEZNQCLSA-N
XLogP2.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-4-methyl-N-[3-(2-phenylethoxy)propyl]pentanamide
CID 119739711
(2S)-2-amino-N-(3-phenylpropyl)butanamide
CID 79024488
(2R)-2-amino-N-(3-phenylpropyl)propanamide;hydrochloride
CID 70408513
N-(3-phenylpropyl)-2-sulfanylpropanamide
CID 107023594
(2R)-2-methyl-N-(3-phenylpropyl)butanamide
CID 94018072
(2S)-2-amino-3-methyl-N-(3-phenylpropyl)pentanamide
CID 22690930
(2S)-2-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-phenylbutanoic acid
CID 104983349
(2R)-2-amino-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-methylpentanamide
CID 15296843
(2R)-2-(carbamoylamino)-N-(3-phenylpropyl)propanamide
CID 94187133
(2S)-2-amino-N-[2-(4-bromophenyl)ethyl]-4-methylpentanamide
CID 94721387
(2S)-2-amino-N-(5-hydroxy-4-methylpentyl)-4-phenylbutanamide
CID 106161296
2-amino-N-(5-phenylpentyl)pentanamide;hydrochloride
CID 119317079

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-(3-phenylpropyl)pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-(3-phenylpropyl)pentanamide (CID 22691113) is (2S)-2-amino-4-methyl-N-(3-phenylpropyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-(3-phenylpropyl)pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-(3-phenylpropyl)pentanamide is CC(C)C[C@H](N)C(=O)NCCCc1ccccc1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-(3-phenylpropyl)pentanamide?
The InChIKey is LLOTYCAERBRPRS-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(2)11-14(16)15(18)17-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12,14H,6,9-11,16H2,1-2H3,(H,17,18)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-(3-phenylpropyl)pentanamide?
(2S)-2-amino-4-methyl-N-(3-phenylpropyl)pentanamide has a molecular weight of 248.37 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-(3-phenylpropyl)pentanamide is sourced from PubChem (CID 22691113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).