4-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3-methylbenzamide

C15H23N3O2 — CID 65264856

IUPAC4-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1NC(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C15H23N3O2/c1-9-8-10(12(16)19)6-7-11(9)18-13(20)14(2,3)15(4,5)17/h6-8H,17H2,1-5H3,(H2,16,19)(H,18,20)
InChIKeyVRCPWSSJWOINPI-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.80
Rot. Bonds4

About 4-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3-methylbenzamide

4-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3-methylbenzamide (PubChem CID 65264856) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3-methylbenzamide.

Molecular Properties

Compound Name4-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3-methylbenzamide
PubChem CID65264856
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1NC(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C15H23N3O2/c1-9-8-10(12(16)19)6-7-11(9)18-13(20)14(2,3)15(4,5)17/h6-8H,17H2,1-5H3,(H2,16,19)(H,18,20)
InChIKeyVRCPWSSJWOINPI-UHFFFAOYSA-N
XLogP1.80
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-amino-2,2,3-trimethylbutanoyl)amino]benzamide
CID 65269739
4-(2,2-dimethylpropylamino)-3-methylbenzamide
CID 61324735
3-methyl-4-(3-oxobutanoylamino)benzamide
CID 61251334
3-amino-N-(2-fluoro-4-methylphenyl)-2,2,3-trimethylbutanamide
CID 65264934
4-[(2-amino-2-ethylbutanoyl)amino]-3-methylbenzoic acid
CID 79810418
3-[(3-amino-2,2,3-trimethylbutanoyl)amino]-4-bromobenzoic acid
CID 107813419
3-methyl-4-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid
CID 62845966
4-(2,2-dimethylpropanoylamino)-N,3-dimethylbenzamide
CID 61215739
4-(2-aminobutanoylamino)-3-methylbenzamide
CID 43706667
4-(heptylamino)-3-methylbenzamide
CID 43706885
ethyl 4-(2,2-dimethylpropanoylamino)-3-methylbenzoate
CID 99771150
4-[(3-chloro-2,2-dimethylpropanoyl)amino]-3-methylbenzoic acid
CID 55245426

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3-methylbenzamide?
The IUPAC name of 4-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3-methylbenzamide (CID 65264856) is 4-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3-methylbenzamide.
What is the SMILES notation for 4-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3-methylbenzamide?
The canonical SMILES for 4-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3-methylbenzamide is Cc1cc(C(N)=O)ccc1NC(=O)C(C)(C)C(C)(C)N.
What is the InChIKey of 4-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3-methylbenzamide?
The InChIKey is VRCPWSSJWOINPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-9-8-10(12(16)19)6-7-11(9)18-13(20)14(2,3)15(4,5)17/h6-8H,17H2,1-5H3,(H2,16,19)(H,18,20).
What are the key properties of 4-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3-methylbenzamide?
4-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3-methylbenzamide has a molecular weight of 277.37 g/mol, XLogP of 1.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3-methylbenzamide is sourced from PubChem (CID 65264856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).