(2S,3S)-2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]pentanamide

C16H25N3O2 — CID 61156327

IUPAC(2S,3S)-2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]pentanamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)[C@@H](N)[C@@H](C)CC)c1
InChIInChI=1S/C16H25N3O2/c1-5-10(3)15(17)16(21)19-13-9-12(8-7-11(13)4)18-14(20)6-2/h7-10,15H,5-6,17H2,1-4H3,(H,18,20)(H,19,21)/t10-,15-/m0/s1
InChIKeyWFUSHDFNSKFGJI-BONVTDFDSA-N
MW291.40 g/mol
LogP2.66
Rot. Bonds6

About (2S,3S)-2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]pentanamide

(2S,3S)-2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]pentanamide (PubChem CID 61156327) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]pentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]pentanamide
PubChem CID61156327
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name(2S,3S)-2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]pentanamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)[C@@H](N)[C@@H](C)CC)c1
InChIInChI=1S/C16H25N3O2/c1-5-10(3)15(17)16(21)19-13-9-12(8-7-11(13)4)18-14(20)6-2/h7-10,15H,5-6,17H2,1-4H3,(H,18,20)(H,19,21)/t10-,15-/m0/s1
InChIKeyWFUSHDFNSKFGJI-BONVTDFDSA-N
XLogP2.66
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide
CID 43700724
(2S,3S)-N-(5-acetamido-2-methylphenyl)-2-amino-3-methylpentanamide
CID 61154615
(2S)-N-(3-acetamido-4-methylphenyl)-2-amino-3-methylpentanamide
CID 61174777
(2S)-2-amino-N-[2-methyl-5-(propanoylamino)phenyl]butanamide
CID 79025428
(2R)-2-amino-3,3-dimethyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide
CID 103928627
(2S,3S)-2-amino-N-(5-bromo-2-methylphenyl)-3-methylpentanamide
CID 61178087
(2S)-2-amino-3-methyl-N-(2-methyl-5-sulfamoylphenyl)pentanamide
CID 61172312
(2S)-2-amino-3-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide
CID 66475643
3-[(2-amino-3-methylpentanoyl)amino]-N,4-dimethylbenzamide
CID 43711952
(2S)-2-amino-N-(5-cyano-2-methylphenyl)-3-methylpentanamide
CID 62105604
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-N,N,4-trimethylbenzamide
CID 61179468
N-(5-acetamido-2-methylphenyl)-2-amino-3-methylbutanamide
CID 43697583

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]pentanamide?
The IUPAC name of (2S,3S)-2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]pentanamide (CID 61156327) is (2S,3S)-2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]pentanamide.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]pentanamide?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]pentanamide is CCC(=O)Nc1ccc(C)c(NC(=O)[C@@H](N)[C@@H](C)CC)c1.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]pentanamide?
The InChIKey is WFUSHDFNSKFGJI-BONVTDFDSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-5-10(3)15(17)16(21)19-13-9-12(8-7-11(13)4)18-14(20)6-2/h7-10,15H,5-6,17H2,1-4H3,(H,18,20)(H,19,21)/t10-,15-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]pentanamide?
(2S,3S)-2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]pentanamide has a molecular weight of 291.40 g/mol, XLogP of 2.66, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]pentanamide is sourced from PubChem (CID 61156327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).