N-[4-[acetyl(methyl)amino]phenyl]-4-(2-methylpropanoylamino)benzamide

C20H23N3O3 — CID 86857816

IUPACN-[4-[acetyl(methyl)amino]phenyl]-4-(2-methylpropanoylamino)benzamide
SMILESCC(=O)N(C)c1ccc(NC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1
InChIInChI=1S/C20H23N3O3/c1-13(2)19(25)21-16-7-5-15(6-8-16)20(26)22-17-9-11-18(12-10-17)23(4)14(3)24/h5-13H,1-4H3,(H,21,25)(H,22,26)
InChIKeyOSVJLGDRMLZPKO-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.52
Rot. Bonds5

About N-[4-[acetyl(methyl)amino]phenyl]-4-(2-methylpropanoylamino)benzamide

N-[4-[acetyl(methyl)amino]phenyl]-4-(2-methylpropanoylamino)benzamide (PubChem CID 86857816) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[4-[acetyl(methyl)amino]phenyl]-4-(2-methylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-[4-[acetyl(methyl)amino]phenyl]-4-(2-methylpropanoylamino)benzamide
PubChem CID86857816
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[4-[acetyl(methyl)amino]phenyl]-4-(2-methylpropanoylamino)benzamide
SMILESCC(=O)N(C)c1ccc(NC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1
InChIInChI=1S/C20H23N3O3/c1-13(2)19(25)21-16-7-5-15(6-8-16)20(26)22-17-9-11-18(12-10-17)23(4)14(3)24/h5-13H,1-4H3,(H,21,25)(H,22,26)
InChIKeyOSVJLGDRMLZPKO-UHFFFAOYSA-N
XLogP3.52
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide
CID 17188207
N-[4-[acetyl(methyl)amino]phenyl]-4-methoxybenzamide
CID 730548
4-[[4-(2-methylpropanoylamino)benzoyl]amino]benzoic acid
CID 17172328
N-[4-[acetyl(methyl)amino]phenyl]-4-nitrobenzamide
CID 675941
N-(4-tert-butylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 39088297
4-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 42120723
N-[4-(2-methylpropanoylamino)phenyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 55824637
N-(3,5-dimethylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 51179788
N-[4-[acetyl(methyl)amino]phenyl]-4-(methoxyiminomethyl)benzamide
CID 103598921
N-(4-cyanophenyl)-4-(2-methylpropanoylamino)benzamide
CID 977438
N-(4-acetamidophenyl)-4-(dimethylamino)benzamide
CID 669679
N-[4-(hydrazinecarbonyl)phenyl]-2-methylpropanamide
CID 952336

Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-4-(2-methylpropanoylamino)benzamide?
The IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-4-(2-methylpropanoylamino)benzamide (CID 86857816) is N-[4-[acetyl(methyl)amino]phenyl]-4-(2-methylpropanoylamino)benzamide.
What is the SMILES notation for N-[4-[acetyl(methyl)amino]phenyl]-4-(2-methylpropanoylamino)benzamide?
The canonical SMILES for N-[4-[acetyl(methyl)amino]phenyl]-4-(2-methylpropanoylamino)benzamide is CC(=O)N(C)c1ccc(NC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1.
What is the InChIKey of N-[4-[acetyl(methyl)amino]phenyl]-4-(2-methylpropanoylamino)benzamide?
The InChIKey is OSVJLGDRMLZPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-13(2)19(25)21-16-7-5-15(6-8-16)20(26)22-17-9-11-18(12-10-17)23(4)14(3)24/h5-13H,1-4H3,(H,21,25)(H,22,26).
What are the key properties of N-[4-[acetyl(methyl)amino]phenyl]-4-(2-methylpropanoylamino)benzamide?
N-[4-[acetyl(methyl)amino]phenyl]-4-(2-methylpropanoylamino)benzamide has a molecular weight of 353.42 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl(methyl)amino]phenyl]-4-(2-methylpropanoylamino)benzamide is sourced from PubChem (CID 86857816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).