4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide

C21H27N3O2 — CID 120667626

IUPAC4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(NC(=O)C(N)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H27N3O2/c1-5-21(3,4)24-19(25)16-10-12-17(13-11-16)23-20(26)18(22)15-8-6-14(2)7-9-15/h6-13,18H,5,22H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyQVTYCQOHNQGRGT-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.55
Rot. Bonds6

About 4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide

4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide (PubChem CID 120667626) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide
PubChem CID120667626
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(NC(=O)C(N)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H27N3O2/c1-5-21(3,4)24-19(25)16-10-12-17(13-11-16)23-20(26)18(22)15-8-6-14(2)7-9-15/h6-13,18H,5,22H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyQVTYCQOHNQGRGT-UHFFFAOYSA-N
XLogP3.55
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-(2-methylbutan-2-yl)benzamide
CID 119738242
2-methyl-3-[4-(2-methylbutan-2-ylcarbamoyl)anilino]-3-oxopropanoic acid
CID 122065354
4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
CID 120669281
N-[4-[[2-amino-2-(4-methylphenyl)acetyl]amino]phenyl]-2-methylpropanamide
CID 120666693
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-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-tert-butylbenzamide
CID 120667141
2-amino-2-(4-methylphenyl)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 120666535
N-hydroxy-4-[2-(4-methylphenyl)butanoylamino]benzamide
CID 123214374
N-[4-[[2-amino-2-(4-methylphenyl)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 120666920
2-(2-methylbutan-2-ylamino)-N-(4-methylphenyl)propanamide
CID 60647573
4-[3-(4-fluorophenyl)butanoylamino]-N-(2-methylbutan-2-yl)benzamide
CID 55920082

Frequently Asked Questions

What is the IUPAC name of 4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide?
The IUPAC name of 4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide (CID 120667626) is 4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide.
What is the SMILES notation for 4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide?
The canonical SMILES for 4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide is CCC(C)(C)NC(=O)c1ccc(NC(=O)C(N)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide?
The InChIKey is QVTYCQOHNQGRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-5-21(3,4)24-19(25)16-10-12-17(13-11-16)23-20(26)18(22)15-8-6-14(2)7-9-15/h6-13,18H,5,22H2,1-4H3,(H,23,26)(H,24,25).
What are the key properties of 4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide?
4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide has a molecular weight of 353.47 g/mol, XLogP of 3.55, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide is sourced from PubChem (CID 120667626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).