(2S)-2-amino-N-[(4-propan-2-ylphenyl)methyl]pentanamide

C15H24N2O — CID 107569508

IUPAC(2S)-2-amino-N-[(4-propan-2-ylphenyl)methyl]pentanamide
SMILESCCC[C@H](N)C(=O)NCc1ccc(C(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-4-5-14(16)15(18)17-10-12-6-8-13(9-7-12)11(2)3/h6-9,11,14H,4-5,10,16H2,1-3H3,(H,17,18)/t14-/m0/s1
InChIKeyHSRGDMLDBAZHLQ-AWEZNQCLSA-N
MW248.37 g/mol
LogP2.55
Rot. Bonds6

About (2S)-2-amino-N-[(4-propan-2-ylphenyl)methyl]pentanamide

(2S)-2-amino-N-[(4-propan-2-ylphenyl)methyl]pentanamide (PubChem CID 107569508) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (2S)-2-amino-N-[(4-propan-2-ylphenyl)methyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(4-propan-2-ylphenyl)methyl]pentanamide
PubChem CID107569508
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(2S)-2-amino-N-[(4-propan-2-ylphenyl)methyl]pentanamide
SMILESCCC[C@H](N)C(=O)NCc1ccc(C(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-4-5-14(16)15(18)17-10-12-6-8-13(9-7-12)11(2)3/h6-9,11,14H,4-5,10,16H2,1-3H3,(H,17,18)/t14-/m0/s1
InChIKeyHSRGDMLDBAZHLQ-AWEZNQCLSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-benzylpentanamide
CID 11020044
2-amino-N-[(4-methylsulfanylphenyl)methyl]pentanamide;hydrochloride
CID 119302802
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 59487519
2-amino-N-[1-(4-propan-2-ylphenyl)ethyl]pentanamide;hydrochloride
CID 119269406
6-amino-2-methyl-N-[(4-propan-2-ylphenyl)methyl]heptanamide
CID 65291164
2-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide
CID 61258868
(2S)-2-amino-N-[(4-hydroxyphenyl)methyl]hexanamide
CID 67015275
N-[(4-aminophenyl)methyl]-2-methylpentanamide
CID 60891259
2-methoxy-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 112685779
3-amino-4-oxo-4-[(4-propylphenyl)methylamino]butanoic acid
CID 115181300
2-amino-N-[(3-methylphenyl)methyl]pentanamide;hydrochloride
CID 119281680
2-amino-N-[[4-(2-methoxyphenoxy)phenyl]methyl]pentanamide
CID 119322060

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(4-propan-2-ylphenyl)methyl]pentanamide?
The IUPAC name of (2S)-2-amino-N-[(4-propan-2-ylphenyl)methyl]pentanamide (CID 107569508) is (2S)-2-amino-N-[(4-propan-2-ylphenyl)methyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-N-[(4-propan-2-ylphenyl)methyl]pentanamide?
The canonical SMILES for (2S)-2-amino-N-[(4-propan-2-ylphenyl)methyl]pentanamide is CCC[C@H](N)C(=O)NCc1ccc(C(C)C)cc1.
What is the InChIKey of (2S)-2-amino-N-[(4-propan-2-ylphenyl)methyl]pentanamide?
The InChIKey is HSRGDMLDBAZHLQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-5-14(16)15(18)17-10-12-6-8-13(9-7-12)11(2)3/h6-9,11,14H,4-5,10,16H2,1-3H3,(H,17,18)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(4-propan-2-ylphenyl)methyl]pentanamide?
(2S)-2-amino-N-[(4-propan-2-ylphenyl)methyl]pentanamide has a molecular weight of 248.37 g/mol, XLogP of 2.55, 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-[(4-propan-2-ylphenyl)methyl]pentanamide is sourced from PubChem (CID 107569508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).