2-[(2-anilinoacetyl)amino]-3-methylbutanamide

C13H19N3O2 — CID 113248506

IUPAC2-[(2-anilinoacetyl)amino]-3-methylbutanamide
SMILESCC(C)C(NC(=O)CNc1ccccc1)C(N)=O
InChIInChI=1S/C13H19N3O2/c1-9(2)12(13(14)18)16-11(17)8-15-10-6-4-3-5-7-10/h3-7,9,12,15H,8H2,1-2H3,(H2,14,18)(H,16,17)
InChIKeyJVJADWWKBVONAW-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.72
Rot. Bonds6

About 2-[(2-anilinoacetyl)amino]-3-methylbutanamide

2-[(2-anilinoacetyl)amino]-3-methylbutanamide (PubChem CID 113248506) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[(2-anilinoacetyl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[(2-anilinoacetyl)amino]-3-methylbutanamide
PubChem CID113248506
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-[(2-anilinoacetyl)amino]-3-methylbutanamide
SMILESCC(C)C(NC(=O)CNc1ccccc1)C(N)=O
InChIInChI=1S/C13H19N3O2/c1-9(2)12(13(14)18)16-11(17)8-15-10-6-4-3-5-7-10/h3-7,9,12,15H,8H2,1-2H3,(H2,14,18)(H,16,17)
InChIKeyJVJADWWKBVONAW-UHFFFAOYSA-N
XLogP0.72
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-anilinoacetyl)amino]propanamide
CID 22166450
(2R)-2-[(2-anilinoacetyl)amino]propanamide
CID 173385485
2-[(2-anilinoacetyl)amino]-3,3-dimethylbutanamide;hydrochloride
CID 119778151
(2S,3R)-2-[(2-anilinoacetyl)amino]-3-hydroxybutanoic acid
CID 104965238
2-[(2-anilino-2-oxoethyl)amino]-3-methylbutanamide
CID 103914138
2-anilino-N-(1-hydroxypropan-2-yl)acetamide
CID 60862778
2-anilino-N-(1-phenylethyl)acetamide
CID 54810260
2-[[2-(2-aminophenyl)acetyl]amino]-3-methylbutanamide
CID 113315006
2-anilino-N-(4-hydroxypentan-2-yl)acetamide
CID 113376266
2-anilino-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 115740490
2-anilino-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide;hydrochloride
CID 119720016
2-anilino-N-(2-methylpropyl)acetamide
CID 28565172

Frequently Asked Questions

What is the IUPAC name of 2-[(2-anilinoacetyl)amino]-3-methylbutanamide?
The IUPAC name of 2-[(2-anilinoacetyl)amino]-3-methylbutanamide (CID 113248506) is 2-[(2-anilinoacetyl)amino]-3-methylbutanamide.
What is the SMILES notation for 2-[(2-anilinoacetyl)amino]-3-methylbutanamide?
The canonical SMILES for 2-[(2-anilinoacetyl)amino]-3-methylbutanamide is CC(C)C(NC(=O)CNc1ccccc1)C(N)=O.
What is the InChIKey of 2-[(2-anilinoacetyl)amino]-3-methylbutanamide?
The InChIKey is JVJADWWKBVONAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9(2)12(13(14)18)16-11(17)8-15-10-6-4-3-5-7-10/h3-7,9,12,15H,8H2,1-2H3,(H2,14,18)(H,16,17).
What are the key properties of 2-[(2-anilinoacetyl)amino]-3-methylbutanamide?
2-[(2-anilinoacetyl)amino]-3-methylbutanamide has a molecular weight of 249.31 g/mol, XLogP of 0.72, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-anilinoacetyl)amino]-3-methylbutanamide is sourced from PubChem (CID 113248506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).