4-N-butan-2-yl-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide

C20H24N2O2 — CID 109044039

IUPAC4-N-butan-2-yl-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
SMILESCCC(C)NC(=O)c1ccc(C(=O)NCc2ccccc2C)cc1
InChIInChI=1S/C20H24N2O2/c1-4-15(3)22-20(24)17-11-9-16(10-12-17)19(23)21-13-18-8-6-5-7-14(18)2/h5-12,15H,4,13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyPYKUTJIAGVOPBQ-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.45
Rot. Bonds6

About 4-N-butan-2-yl-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide

4-N-butan-2-yl-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide (PubChem CID 109044039) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 4-N-butan-2-yl-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-butan-2-yl-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
PubChem CID109044039
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name4-N-butan-2-yl-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
SMILESCCC(C)NC(=O)c1ccc(C(=O)NCc2ccccc2C)cc1
InChIInChI=1S/C20H24N2O2/c1-4-15(3)22-20(24)17-11-9-16(10-12-17)19(23)21-13-18-8-6-5-7-14(18)2/h5-12,15H,4,13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyPYKUTJIAGVOPBQ-UHFFFAOYSA-N
XLogP3.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-N-butan-2-yl-2-N-[(2-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109094588
N'-butan-2-yl-N-[(2-methylphenyl)methyl]oxamide
CID 17201961
N-butan-2-yl-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109225134
1-N,3-N-bis[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054196
4-fluoro-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 47296505
4-[[(4-bromobenzoyl)amino]methyl]-N-butan-2-ylbenzamide
CID 4278402
4-methyl-3-(3-methylbut-2-en-2-yl)-N-[(2-methylphenyl)methyl]benzamide
CID 144948628
1-N-[2-(dimethylamino)ethyl]-4-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109045710
4-N-(4-ethylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046822
3-hydroxy-4-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 54940691
4-hydroxy-3-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 103951655
4-N-methyl-1-N-[(2-methylphenyl)methyl]-4-N-phenylbenzene-1,4-dicarboxamide
CID 109046812

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-butan-2-yl-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide (CID 109044039) is 4-N-butan-2-yl-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-butan-2-yl-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-butan-2-yl-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide is CCC(C)NC(=O)c1ccc(C(=O)NCc2ccccc2C)cc1.
What is the InChIKey of 4-N-butan-2-yl-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide?
The InChIKey is PYKUTJIAGVOPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-4-15(3)22-20(24)17-11-9-16(10-12-17)19(23)21-13-18-8-6-5-7-14(18)2/h5-12,15H,4,13H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 4-N-butan-2-yl-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide?
4-N-butan-2-yl-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide has a molecular weight of 324.42 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 109044039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).