4-benzamido-N-methyl-N-(3-methylbutyl)benzamide

C20H24N2O2 — CID 86926879

IUPAC4-benzamido-N-methyl-N-(3-methylbutyl)benzamide
SMILESCC(C)CCN(C)C(=O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C20H24N2O2/c1-15(2)13-14-22(3)20(24)17-9-11-18(12-10-17)21-19(23)16-7-5-4-6-8-16/h4-12,15H,13-14H2,1-3H3,(H,21,23)
InChIKeyGHEJMOZGPVYTKQ-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.06
Rot. Bonds6

About 4-benzamido-N-methyl-N-(3-methylbutyl)benzamide

4-benzamido-N-methyl-N-(3-methylbutyl)benzamide (PubChem CID 86926879) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 4-benzamido-N-methyl-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name4-benzamido-N-methyl-N-(3-methylbutyl)benzamide
PubChem CID86926879
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name4-benzamido-N-methyl-N-(3-methylbutyl)benzamide
SMILESCC(C)CCN(C)C(=O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C20H24N2O2/c1-15(2)13-14-22(3)20(24)17-9-11-18(12-10-17)21-19(23)16-7-5-4-6-8-16/h4-12,15H,13-14H2,1-3H3,(H,21,23)
InChIKeyGHEJMOZGPVYTKQ-UHFFFAOYSA-N
XLogP4.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzamido-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 46536995
N-methyl-4-[[4-(3-methylbutoxy)benzoyl]amino]-N-phenylbenzamide
CID 17230240
4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 109047140
4-benzamido-N-ethylbenzamide
CID 17153265
4-carbamothioyl-N-methyl-N-(3-methylbutyl)benzamide
CID 61429258
4-N-butyl-1-N-(4-ethylphenyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 109048817
4-benzamido-N-[1-(3-benzamidophenyl)ethyl]-N-methylbenzamide
CID 46537045
4-benzamido-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 42953411
4-benzamido-N-(4-butan-2-ylphenyl)benzamide
CID 17153198
N-[4-(ethylamino)phenyl]benzamide
CID 71038629
2-[(4-benzamidobenzoyl)amino]-4-methylpentanoic acid
CID 119188161
4-benzamido-N-butyl-N-phenylbenzamide
CID 17153379

Frequently Asked Questions

What is the IUPAC name of 4-benzamido-N-methyl-N-(3-methylbutyl)benzamide?
The IUPAC name of 4-benzamido-N-methyl-N-(3-methylbutyl)benzamide (CID 86926879) is 4-benzamido-N-methyl-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 4-benzamido-N-methyl-N-(3-methylbutyl)benzamide?
The canonical SMILES for 4-benzamido-N-methyl-N-(3-methylbutyl)benzamide is CC(C)CCN(C)C(=O)c1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of 4-benzamido-N-methyl-N-(3-methylbutyl)benzamide?
The InChIKey is GHEJMOZGPVYTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15(2)13-14-22(3)20(24)17-9-11-18(12-10-17)21-19(23)16-7-5-4-6-8-16/h4-12,15H,13-14H2,1-3H3,(H,21,23).
What are the key properties of 4-benzamido-N-methyl-N-(3-methylbutyl)benzamide?
4-benzamido-N-methyl-N-(3-methylbutyl)benzamide has a molecular weight of 324.42 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-N-methyl-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 86926879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).