(2S)-2-amino-N-[1-(4-methylphenyl)propyl]pentanamide

C15H24N2O — CID 107568564

IUPAC(2S)-2-amino-N-[1-(4-methylphenyl)propyl]pentanamide
SMILESCCC[C@H](N)C(=O)NC(CC)c1ccc(C)cc1
InChIInChI=1S/C15H24N2O/c1-4-6-13(16)15(18)17-14(5-2)12-9-7-11(3)8-10-12/h7-10,13-14H,4-6,16H2,1-3H3,(H,17,18)/t13-,14?/m0/s1
InChIKeyBVLUPFYOWBVERM-LSLKUGRBSA-N
MW248.37 g/mol
LogP2.69
Rot. Bonds6

About (2S)-2-amino-N-[1-(4-methylphenyl)propyl]pentanamide

(2S)-2-amino-N-[1-(4-methylphenyl)propyl]pentanamide (PubChem CID 107568564) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(4-methylphenyl)propyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(4-methylphenyl)propyl]pentanamide
PubChem CID107568564
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(2S)-2-amino-N-[1-(4-methylphenyl)propyl]pentanamide
SMILESCCC[C@H](N)C(=O)NC(CC)c1ccc(C)cc1
InChIInChI=1S/C15H24N2O/c1-4-6-13(16)15(18)17-14(5-2)12-9-7-11(3)8-10-12/h7-10,13-14H,4-6,16H2,1-3H3,(H,17,18)/t13-,14?/m0/s1
InChIKeyBVLUPFYOWBVERM-LSLKUGRBSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[1-(4-methylphenyl)propyl]-4-methylsulfonylbutanamide
CID 43707473
(2R)-2-amino-N-[1-(4-methylphenyl)ethyl]pentanamide
CID 103794630
2-amino-N-[1-(4-methoxyphenyl)propyl]pentanamide;hydrochloride
CID 119271194
2-amino-N-[1-(4-methylphenyl)propyl]propanamide
CID 43707472
2-methyl-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 95358385
2-methyl-N-[1-(4-methylphenyl)propyl]butanamide
CID 134024126
2-amino-3-methyl-N-[1-(4-methylphenyl)propyl]pentanamide
CID 43707477
3-(2-aminopentanoylamino)-3-phenylpropanoic acid
CID 61156736
2-(carbamoylamino)-N-[1-(4-methylphenyl)propyl]propanamide
CID 112766085
2-amino-N-[1-(3-chlorophenyl)propyl]pentanamide;hydrochloride
CID 119285536
ethyl 3-(2-aminopentanoylamino)-3-(4-fluorophenyl)propanoate
CID 119307170
2-amino-N-(1,2-diphenylethyl)pentanamide;hydrochloride
CID 119271471

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(4-methylphenyl)propyl]pentanamide?
The IUPAC name of (2S)-2-amino-N-[1-(4-methylphenyl)propyl]pentanamide (CID 107568564) is (2S)-2-amino-N-[1-(4-methylphenyl)propyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(4-methylphenyl)propyl]pentanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(4-methylphenyl)propyl]pentanamide is CCC[C@H](N)C(=O)NC(CC)c1ccc(C)cc1.
What is the InChIKey of (2S)-2-amino-N-[1-(4-methylphenyl)propyl]pentanamide?
The InChIKey is BVLUPFYOWBVERM-LSLKUGRBSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-6-13(16)15(18)17-14(5-2)12-9-7-11(3)8-10-12/h7-10,13-14H,4-6,16H2,1-3H3,(H,17,18)/t13-,14?/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(4-methylphenyl)propyl]pentanamide?
(2S)-2-amino-N-[1-(4-methylphenyl)propyl]pentanamide has a molecular weight of 248.37 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(4-methylphenyl)propyl]pentanamide is sourced from PubChem (CID 107568564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).