3-[(2-acetamido-3-methylbutanoyl)amino]-N,N-dimethylbenzamide

C16H23N3O3 — CID 46517429

IUPAC3-[(2-acetamido-3-methylbutanoyl)amino]-N,N-dimethylbenzamide
SMILESCC(=O)NC(C(=O)Nc1cccc(C(=O)N(C)C)c1)C(C)C
InChIInChI=1S/C16H23N3O3/c1-10(2)14(17-11(3)20)15(21)18-13-8-6-7-12(9-13)16(22)19(4)5/h6-10,14H,1-5H3,(H,17,20)(H,18,21)
InChIKeyCIRMLQNNOQYHPC-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.49
Rot. Bonds5

About 3-[(2-acetamido-3-methylbutanoyl)amino]-N,N-dimethylbenzamide

3-[(2-acetamido-3-methylbutanoyl)amino]-N,N-dimethylbenzamide (PubChem CID 46517429) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-[(2-acetamido-3-methylbutanoyl)amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[(2-acetamido-3-methylbutanoyl)amino]-N,N-dimethylbenzamide
PubChem CID46517429
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name3-[(2-acetamido-3-methylbutanoyl)amino]-N,N-dimethylbenzamide
SMILESCC(=O)NC(C(=O)Nc1cccc(C(=O)N(C)C)c1)C(C)C
InChIInChI=1S/C16H23N3O3/c1-10(2)14(17-11(3)20)15(21)18-13-8-6-7-12(9-13)16(22)19(4)5/h6-10,14H,1-5H3,(H,17,20)(H,18,21)
InChIKeyCIRMLQNNOQYHPC-UHFFFAOYSA-N
XLogP1.49
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-N-(3-acetylphenyl)-3-methylbutanamide
CID 17424287
methyl 3-[[(2R)-2-acetamido-3-methylbutanoyl]amino]benzoate
CID 40880276
N,N-dimethyl-3-[2-(methylamino)propanoylamino]benzamide
CID 62637299
3-[(2-amino-3,3-dimethylbutanoyl)amino]-N,N-dimethylbenzamide
CID 76887735
3-[2-(2,6-dimethylphenoxy)propanoylamino]-N,N-dimethylbenzamide
CID 17231878
N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide
CID 17232267
3-[[(2S)-2-(4-bromophenoxy)propanoyl]amino]-N,N-dimethylbenzamide
CID 30378577
3-[(4-acetamidobenzoyl)amino]-N,N-dimethylbenzamide
CID 134037398
3-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N,N-dimethylbenzamide
CID 17231884
N-[1-[3-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 43043446
3-(2-acetamidopropanoylamino)benzoic acid
CID 43350881
N,N-dimethyl-3-[[2-(3-methylbutan-2-ylsulfanyl)acetyl]amino]benzamide
CID 75374320

Frequently Asked Questions

What is the IUPAC name of 3-[(2-acetamido-3-methylbutanoyl)amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[(2-acetamido-3-methylbutanoyl)amino]-N,N-dimethylbenzamide (CID 46517429) is 3-[(2-acetamido-3-methylbutanoyl)amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[(2-acetamido-3-methylbutanoyl)amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[(2-acetamido-3-methylbutanoyl)amino]-N,N-dimethylbenzamide is CC(=O)NC(C(=O)Nc1cccc(C(=O)N(C)C)c1)C(C)C.
What is the InChIKey of 3-[(2-acetamido-3-methylbutanoyl)amino]-N,N-dimethylbenzamide?
The InChIKey is CIRMLQNNOQYHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-10(2)14(17-11(3)20)15(21)18-13-8-6-7-12(9-13)16(22)19(4)5/h6-10,14H,1-5H3,(H,17,20)(H,18,21).
What are the key properties of 3-[(2-acetamido-3-methylbutanoyl)amino]-N,N-dimethylbenzamide?
3-[(2-acetamido-3-methylbutanoyl)amino]-N,N-dimethylbenzamide has a molecular weight of 305.38 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-acetamido-3-methylbutanoyl)amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 46517429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).