N-(5-acetamido-2-methylphenyl)-2-amino-3-methylbutanamide

C14H21N3O2 — CID 43697583

IUPACN-(5-acetamido-2-methylphenyl)-2-amino-3-methylbutanamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)C(N)C(C)C)c1
InChIInChI=1S/C14H21N3O2/c1-8(2)13(15)14(19)17-12-7-11(16-10(4)18)6-5-9(12)3/h5-8,13H,15H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyUNFNVFSPYYTRFI-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.88
Rot. Bonds4

About N-(5-acetamido-2-methylphenyl)-2-amino-3-methylbutanamide

N-(5-acetamido-2-methylphenyl)-2-amino-3-methylbutanamide (PubChem CID 43697583) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(5-acetamido-2-methylphenyl)-2-amino-3-methylbutanamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methylphenyl)-2-amino-3-methylbutanamide
PubChem CID43697583
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-(5-acetamido-2-methylphenyl)-2-amino-3-methylbutanamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)C(N)C(C)C)c1
InChIInChI=1S/C14H21N3O2/c1-8(2)13(15)14(19)17-12-7-11(16-10(4)18)6-5-9(12)3/h5-8,13H,15H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyUNFNVFSPYYTRFI-UHFFFAOYSA-N
XLogP1.88
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.88
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
N-(5-acetamido-2-methylphenyl)-2-chloropropanamide
CID 43696197
(2S)-N-(3-acetamido-4-methylphenyl)-2-amino-3-methylpentanamide
CID 61174777
2-amino-N-(5-bromo-2-methylphenyl)-3-methylbutanamide
CID 43712521
5-acetamido-2-[[(2S)-2-amino-3-methylbutanoyl]amino]benzoic acid
CID 61157962
N-[4-methyl-3-[[(2S)-3-methylbutan-2-yl]carbamoylamino]phenyl]acetamide
CID 94177222
(2S)-N-(3-acetamido-4-methylphenyl)-2-amino-3,3-dimethylbutanamide
CID 61178466
(2R)-2-amino-3-methyl-N-(2-methyl-5-sulfamoylphenyl)butanamide
CID 79013470
N-(3-acetamido-4-methoxyphenyl)-2-amino-3-methylbutanamide
CID 119278958
N-(5-acetamido-2-methylphenyl)-3-(ethylamino)-2-methylpropanamide
CID 62853430
(2S,3S)-2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]pentanamide
CID 61156327

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methylphenyl)-2-amino-3-methylbutanamide?
The IUPAC name of N-(5-acetamido-2-methylphenyl)-2-amino-3-methylbutanamide (CID 43697583) is N-(5-acetamido-2-methylphenyl)-2-amino-3-methylbutanamide.
What is the SMILES notation for N-(5-acetamido-2-methylphenyl)-2-amino-3-methylbutanamide?
The canonical SMILES for N-(5-acetamido-2-methylphenyl)-2-amino-3-methylbutanamide is CC(=O)Nc1ccc(C)c(NC(=O)C(N)C(C)C)c1.
What is the InChIKey of N-(5-acetamido-2-methylphenyl)-2-amino-3-methylbutanamide?
The InChIKey is UNFNVFSPYYTRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-8(2)13(15)14(19)17-12-7-11(16-10(4)18)6-5-9(12)3/h5-8,13H,15H2,1-4H3,(H,16,18)(H,17,19).
What are the key properties of N-(5-acetamido-2-methylphenyl)-2-amino-3-methylbutanamide?
N-(5-acetamido-2-methylphenyl)-2-amino-3-methylbutanamide has a molecular weight of 263.34 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methylphenyl)-2-amino-3-methylbutanamide is sourced from PubChem (CID 43697583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).