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

C19H24N2O — CID 112980349

IUPAC3,4-dimethyl-N-[4-(2-methylpropylamino)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(NCC(C)C)cc2)cc1C
InChIInChI=1S/C19H24N2O/c1-13(2)12-20-17-7-9-18(10-8-17)21-19(22)16-6-5-14(3)15(4)11-16/h5-11,13,20H,12H2,1-4H3,(H,21,22)
InChIKeyDDXZEIQAOWPSCA-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.62
Rot. Bonds5

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

3,4-dimethyl-N-[4-(2-methylpropylamino)phenyl]benzamide (PubChem CID 112980349) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 3,4-dimethyl-N-[4-(2-methylpropylamino)phenyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[4-(2-methylpropylamino)phenyl]benzamide
PubChem CID112980349
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name3,4-dimethyl-N-[4-(2-methylpropylamino)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(NCC(C)C)cc2)cc1C
InChIInChI=1S/C19H24N2O/c1-13(2)12-20-17-7-9-18(10-8-17)21-19(22)16-6-5-14(3)15(4)11-16/h5-11,13,20H,12H2,1-4H3,(H,21,22)
InChIKeyDDXZEIQAOWPSCA-UHFFFAOYSA-N
XLogP4.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

propan-2-yl 4-[(3,4-dimethylbenzoyl)amino]benzoate
CID 708962
3,4-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 893199
3,4-dimethyl-N-(4-methylphenyl)benzamide
CID 3950718
N-[4-(butan-2-ylamino)phenyl]-3,4-dimethylbenzamide
CID 112980469
3-fluoro-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980338
N-[4-(hydroxymethyl)phenyl]-3,4-dimethylbenzamide
CID 64793175
N-(3,4-dimethylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181294
3,4,5-trimethoxy-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980351
3-methoxy-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980344
1-[4-[(3,4-dimethylbenzoyl)amino]anilino]ethylidene-dimethylazanium
CID 21440580
3,4-dimethyl-N-(4-phenyldiazenylphenyl)benzamide
CID 3466026
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3,4-dimethylbenzamide
CID 43185491

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[4-(2-methylpropylamino)phenyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[4-(2-methylpropylamino)phenyl]benzamide (CID 112980349) is 3,4-dimethyl-N-[4-(2-methylpropylamino)phenyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[4-(2-methylpropylamino)phenyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[4-(2-methylpropylamino)phenyl]benzamide is Cc1ccc(C(=O)Nc2ccc(NCC(C)C)cc2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[4-(2-methylpropylamino)phenyl]benzamide?
The InChIKey is DDXZEIQAOWPSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-13(2)12-20-17-7-9-18(10-8-17)21-19(22)16-6-5-14(3)15(4)11-16/h5-11,13,20H,12H2,1-4H3,(H,21,22).
What are the key properties of 3,4-dimethyl-N-[4-(2-methylpropylamino)phenyl]benzamide?
3,4-dimethyl-N-[4-(2-methylpropylamino)phenyl]benzamide has a molecular weight of 296.41 g/mol, XLogP of 4.62, 5 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-methylpropylamino)phenyl]benzamide is sourced from PubChem (CID 112980349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).