(2S)-2-amino-3-methyl-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]pentanamide

C15H20N4O2 — CID 61174783

IUPAC(2S)-2-amino-3-methyl-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]pentanamide
SMILESCCC(C)[C@H](N)C(=O)Nc1ccc(-n2cc[nH]c2=O)cc1
InChIInChI=1S/C15H20N4O2/c1-3-10(2)13(16)14(20)18-11-4-6-12(7-5-11)19-9-8-17-15(19)21/h4-10,13H,3,16H2,1-2H3,(H,17,21)(H,18,20)/t10?,13-/m0/s1
InChIKeyKZNAAYGKJBSYGI-HQVZTVAUSA-N
MW288.35 g/mol
LogP1.48
Rot. Bonds5

About (2S)-2-amino-3-methyl-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]pentanamide

(2S)-2-amino-3-methyl-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]pentanamide (PubChem CID 61174783) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]pentanamide
PubChem CID61174783
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name(2S)-2-amino-3-methyl-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]pentanamide
SMILESCCC(C)[C@H](N)C(=O)Nc1ccc(-n2cc[nH]c2=O)cc1
InChIInChI=1S/C15H20N4O2/c1-3-10(2)13(16)14(20)18-11-4-6-12(7-5-11)19-9-8-17-15(19)21/h4-10,13H,3,16H2,1-2H3,(H,17,21)(H,18,20)/t10?,13-/m0/s1
InChIKeyKZNAAYGKJBSYGI-HQVZTVAUSA-N
XLogP1.48
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide
CID 62637310
2-amino-3,3-dimethyl-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]butanamide
CID 76888014
(2S,3S)-2-amino-3-methyl-N-(4-pyrazol-1-ylphenyl)pentanamide
CID 61180755
(2S)-2-amino-N-(4-tert-butylphenyl)-3-methylpentanamide
CID 22690860
(2S)-2-amino-N-(4-iodophenyl)-3-methylpentanamide
CID 61173167
(2S,3S)-2-amino-N-(4-bromophenyl)-3-methylpentanamide
CID 42313538
(2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide
CID 22690865
(2S,3S)-2-amino-3-methyl-N-(4-morpholin-4-ylphenyl)pentanamide
CID 58441866
(2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)phenyl]pentanamide
CID 42313687
2-amino-N-(4-butan-2-ylphenyl)-3-methylpentanamide
CID 43702138
2-amino-N-(4-chlorophenyl)-3-methylpentanamide;hydrochloride
CID 119671236
4-[(2-amino-3-methylpentanoyl)amino]benzamide
CID 24711827

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]pentanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]pentanamide (CID 61174783) is (2S)-2-amino-3-methyl-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]pentanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]pentanamide is CCC(C)[C@H](N)C(=O)Nc1ccc(-n2cc[nH]c2=O)cc1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]pentanamide?
The InChIKey is KZNAAYGKJBSYGI-HQVZTVAUSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-10(2)13(16)14(20)18-11-4-6-12(7-5-11)19-9-8-17-15(19)21/h4-10,13H,3,16H2,1-2H3,(H,17,21)(H,18,20)/t10?,13-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]pentanamide?
(2S)-2-amino-3-methyl-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]pentanamide has a molecular weight of 288.35 g/mol, XLogP of 1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]pentanamide is sourced from PubChem (CID 61174783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).