4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-(2-methylbutan-2-yl)benzamide

C22H29N3O2 — CID 119738242

IUPAC4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(NC(=O)C(C)C(N)c2ccccc2)cc1
InChIInChI=1S/C22H29N3O2/c1-5-22(3,4)25-21(27)17-11-13-18(14-12-17)24-20(26)15(2)19(23)16-9-7-6-8-10-16/h6-15,19H,5,23H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyKFOOKUFAOMMOQD-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.88
Rot. Bonds7

About 4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-(2-methylbutan-2-yl)benzamide

4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-(2-methylbutan-2-yl)benzamide (PubChem CID 119738242) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-(2-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-(2-methylbutan-2-yl)benzamide
PubChem CID119738242
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(NC(=O)C(C)C(N)c2ccccc2)cc1
InChIInChI=1S/C22H29N3O2/c1-5-22(3,4)25-21(27)17-11-13-18(14-12-17)24-20(26)15(2)19(23)16-9-7-6-8-10-16/h6-15,19H,5,23H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyKFOOKUFAOMMOQD-UHFFFAOYSA-N
XLogP3.88
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methyl-N-(2-methylbutan-2-yl)-3-phenylpropanamide
CID 80551789
2-methyl-3-[4-(2-methylbutan-2-ylcarbamoyl)anilino]-3-oxopropanoic acid
CID 122065354
ethyl 2-[[4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]benzoyl]amino]propanoate
CID 119806767
4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide
CID 120667626
3-amino-N-(4-ethylphenyl)-2-methyl-3-phenylpropanamide
CID 80546370
4-amino-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
CID 119738238
4-[(2-aminoacetyl)amino]-N-(2-methylbutan-2-yl)benzamide
CID 119297460
3-amino-2-methyl-N-[4-(methylsulfanylmethyl)phenyl]-3-phenylpropanamide
CID 119769536
4-[(3-amino-2-phenylpropanoyl)amino]-N-tert-butylbenzamide;hydrochloride
CID 119703080
3-amino-2-methyl-3-phenyl-N-(4-propan-2-yloxyphenyl)propanamide
CID 119707089
N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 60533340
2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-tert-butylbenzamide
CID 119707303

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-(2-methylbutan-2-yl)benzamide?
The IUPAC name of 4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-(2-methylbutan-2-yl)benzamide (CID 119738242) is 4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-(2-methylbutan-2-yl)benzamide.
What is the SMILES notation for 4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-(2-methylbutan-2-yl)benzamide?
The canonical SMILES for 4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-(2-methylbutan-2-yl)benzamide is CCC(C)(C)NC(=O)c1ccc(NC(=O)C(C)C(N)c2ccccc2)cc1.
What is the InChIKey of 4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-(2-methylbutan-2-yl)benzamide?
The InChIKey is KFOOKUFAOMMOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-5-22(3,4)25-21(27)17-11-13-18(14-12-17)24-20(26)15(2)19(23)16-9-7-6-8-10-16/h6-15,19H,5,23H2,1-4H3,(H,24,26)(H,25,27).
What are the key properties of 4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-(2-methylbutan-2-yl)benzamide?
4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-(2-methylbutan-2-yl)benzamide has a molecular weight of 367.49 g/mol, XLogP of 3.88, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-(2-methylbutan-2-yl)benzamide is sourced from PubChem (CID 119738242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).