3-[(4-amino-2-methylbutanoyl)amino]-N,N,4-trimethylbenzamide

C15H23N3O2 — CID 80543366

IUPAC3-[(4-amino-2-methylbutanoyl)amino]-N,N,4-trimethylbenzamide
SMILESCc1ccc(C(=O)N(C)C)cc1NC(=O)C(C)CCN
InChIInChI=1S/C15H23N3O2/c1-10-5-6-12(15(20)18(3)4)9-13(10)17-14(19)11(2)7-8-16/h5-6,9,11H,7-8,16H2,1-4H3,(H,17,19)
InChIKeyWTDZXSULSCKWSE-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.62
Rot. Bonds5

About 3-[(4-amino-2-methylbutanoyl)amino]-N,N,4-trimethylbenzamide

3-[(4-amino-2-methylbutanoyl)amino]-N,N,4-trimethylbenzamide (PubChem CID 80543366) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[(4-amino-2-methylbutanoyl)amino]-N,N,4-trimethylbenzamide.

Molecular Properties

Compound Name3-[(4-amino-2-methylbutanoyl)amino]-N,N,4-trimethylbenzamide
PubChem CID80543366
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-[(4-amino-2-methylbutanoyl)amino]-N,N,4-trimethylbenzamide
SMILESCc1ccc(C(=O)N(C)C)cc1NC(=O)C(C)CCN
InChIInChI=1S/C15H23N3O2/c1-10-5-6-12(15(20)18(3)4)9-13(10)17-14(19)11(2)7-8-16/h5-6,9,11H,7-8,16H2,1-4H3,(H,17,19)
InChIKeyWTDZXSULSCKWSE-UHFFFAOYSA-N
XLogP1.62
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-amino-2-methylpentanoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 104683767
3-[[(2S)-2-aminobutanoyl]amino]-N,N,4-trimethylbenzamide
CID 79024817
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-N,N,4-trimethylbenzamide
CID 61179468
N,N,4-trimethyl-3-(pentan-2-ylcarbamoylamino)benzamide
CID 47041438
N,N,4-trimethyl-3-(propanoylamino)benzamide
CID 60650905
N,N,4-trimethyl-3-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride
CID 119719084
3-(3-chloropropanoylamino)-N,N,4-trimethylbenzamide
CID 43698528
N,N,4-trimethyl-3-(2-methylpentan-3-ylamino)benzamide
CID 43783525
4-methyl-3-(2-methyloctadecanoylamino)benzoic acid
CID 12800037
4-amino-N-(2-hydroxy-3,5-dimethylphenyl)-2-methylbutanamide
CID 80544363
4-amino-N-(2,5-dichloro-4-methylphenyl)-2-methylbutanamide
CID 104727116
4-amino-N-(2-hydroxy-3-methylphenyl)-2-methylbutanamide
CID 80545256

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-2-methylbutanoyl)amino]-N,N,4-trimethylbenzamide?
The IUPAC name of 3-[(4-amino-2-methylbutanoyl)amino]-N,N,4-trimethylbenzamide (CID 80543366) is 3-[(4-amino-2-methylbutanoyl)amino]-N,N,4-trimethylbenzamide.
What is the SMILES notation for 3-[(4-amino-2-methylbutanoyl)amino]-N,N,4-trimethylbenzamide?
The canonical SMILES for 3-[(4-amino-2-methylbutanoyl)amino]-N,N,4-trimethylbenzamide is Cc1ccc(C(=O)N(C)C)cc1NC(=O)C(C)CCN.
What is the InChIKey of 3-[(4-amino-2-methylbutanoyl)amino]-N,N,4-trimethylbenzamide?
The InChIKey is WTDZXSULSCKWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10-5-6-12(15(20)18(3)4)9-13(10)17-14(19)11(2)7-8-16/h5-6,9,11H,7-8,16H2,1-4H3,(H,17,19).
What are the key properties of 3-[(4-amino-2-methylbutanoyl)amino]-N,N,4-trimethylbenzamide?
3-[(4-amino-2-methylbutanoyl)amino]-N,N,4-trimethylbenzamide has a molecular weight of 277.37 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-2-methylbutanoyl)amino]-N,N,4-trimethylbenzamide is sourced from PubChem (CID 80543366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).