3,4-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]benzamide

C19H22N2O2 — CID 893199

IUPAC3,4-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1C
InChIInChI=1S/C19H22N2O2/c1-12(2)18(22)20-16-7-9-17(10-8-16)21-19(23)15-6-5-13(3)14(4)11-15/h5-12H,1-4H3,(H,20,22)(H,21,23)
InChIKeyRVGCQJJNRRNAHD-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.15
Rot. Bonds4

About 3,4-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]benzamide

3,4-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]benzamide (PubChem CID 893199) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 3,4-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]benzamide
PubChem CID893199
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name3,4-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1C
InChIInChI=1S/C19H22N2O2/c1-12(2)18(22)20-16-7-9-17(10-8-16)21-19(23)15-6-5-13(3)14(4)11-15/h5-12H,1-4H3,(H,20,22)(H,21,23)
InChIKeyRVGCQJJNRRNAHD-UHFFFAOYSA-N
XLogP4.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide
CID 17188207
3,4-dimethyl-N-(4-methylphenyl)benzamide
CID 3950718
propan-2-yl 4-[(3,4-dimethylbenzoyl)amino]benzoate
CID 708962
N-(3,5-dimethylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 51179788
3,4-dimethyl-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980349
4-methyl-3-(2-methylpropanoylamino)-N-phenylbenzamide
CID 86977710
N-[4-(butan-2-ylamino)phenyl]-3,4-dimethylbenzamide
CID 112980469
4-[[4-(2-methylpropanoylamino)benzoyl]amino]benzoic acid
CID 17172328
1-[4-[(3,4-dimethylbenzoyl)amino]anilino]ethylidene-dimethylazanium
CID 21440580
N-[4-(hydroxymethyl)phenyl]-3,4-dimethylbenzamide
CID 64793175
N-(4-iodophenyl)-3-(2-methylpropanoylamino)benzamide
CID 3737754
N-(4-tert-butylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 39088297

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]benzamide (CID 893199) is 3,4-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]benzamide is Cc1ccc(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]benzamide?
The InChIKey is RVGCQJJNRRNAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-12(2)18(22)20-16-7-9-17(10-8-16)21-19(23)15-6-5-13(3)14(4)11-15/h5-12H,1-4H3,(H,20,22)(H,21,23).
What are the key properties of 3,4-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]benzamide?
3,4-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]benzamide has a molecular weight of 310.40 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]benzamide is sourced from PubChem (CID 893199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).