4-N-butan-2-yl-1-N-(2,4-dimethoxyphenyl)benzene-1,4-dicarboxamide

C20H24N2O4 — CID 109044149

IUPAC4-N-butan-2-yl-1-N-(2,4-dimethoxyphenyl)benzene-1,4-dicarboxamide
SMILESCCC(C)NC(=O)c1ccc(C(=O)Nc2ccc(OC)cc2OC)cc1
InChIInChI=1S/C20H24N2O4/c1-5-13(2)21-19(23)14-6-8-15(9-7-14)20(24)22-17-11-10-16(25-3)12-18(17)26-4/h6-13H,5H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyNDXBITPTUNFTBH-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.48
Rot. Bonds7

About 4-N-butan-2-yl-1-N-(2,4-dimethoxyphenyl)benzene-1,4-dicarboxamide

4-N-butan-2-yl-1-N-(2,4-dimethoxyphenyl)benzene-1,4-dicarboxamide (PubChem CID 109044149) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 4-N-butan-2-yl-1-N-(2,4-dimethoxyphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-butan-2-yl-1-N-(2,4-dimethoxyphenyl)benzene-1,4-dicarboxamide
PubChem CID109044149
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name4-N-butan-2-yl-1-N-(2,4-dimethoxyphenyl)benzene-1,4-dicarboxamide
SMILESCCC(C)NC(=O)c1ccc(C(=O)Nc2ccc(OC)cc2OC)cc1
InChIInChI=1S/C20H24N2O4/c1-5-13(2)21-19(23)14-6-8-15(9-7-14)20(24)22-17-11-10-16(25-3)12-18(17)26-4/h6-13H,5H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyNDXBITPTUNFTBH-UHFFFAOYSA-N
XLogP3.48
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(2,4-dimethoxyphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043198
N-[(2S)-butan-2-yl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 42427383
2-(butan-2-ylamino)-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109249144
N-[(2S)-butan-2-yl]-4-(2,5-dimethoxybenzoyl)benzamide
CID 1362819
4-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 8566750
N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 2832276
4-(diethylamino)-N-(2,4-dimethoxyphenyl)benzamide
CID 9120164
N-butan-2-yl-2-(2,4-dimethoxyanilino)propanamide
CID 43113547
N-(2,4-dimethoxyphenyl)-4-(ethylsulfonylamino)benzamide
CID 92643115
N-(2,4-dimethoxyphenyl)-4-phenylbenzamide
CID 602380
4-N-butan-2-yl-2-N-(2,5-dimethoxyphenyl)pyridine-2,4-dicarboxamide
CID 109080066
1-N-cyclopropyl-4-N-(2,4-dimethoxyphenyl)benzene-1,4-dicarboxamide
CID 109043393

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-1-N-(2,4-dimethoxyphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-butan-2-yl-1-N-(2,4-dimethoxyphenyl)benzene-1,4-dicarboxamide (CID 109044149) is 4-N-butan-2-yl-1-N-(2,4-dimethoxyphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-butan-2-yl-1-N-(2,4-dimethoxyphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-butan-2-yl-1-N-(2,4-dimethoxyphenyl)benzene-1,4-dicarboxamide is CCC(C)NC(=O)c1ccc(C(=O)Nc2ccc(OC)cc2OC)cc1.
What is the InChIKey of 4-N-butan-2-yl-1-N-(2,4-dimethoxyphenyl)benzene-1,4-dicarboxamide?
The InChIKey is NDXBITPTUNFTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-5-13(2)21-19(23)14-6-8-15(9-7-14)20(24)22-17-11-10-16(25-3)12-18(17)26-4/h6-13H,5H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of 4-N-butan-2-yl-1-N-(2,4-dimethoxyphenyl)benzene-1,4-dicarboxamide?
4-N-butan-2-yl-1-N-(2,4-dimethoxyphenyl)benzene-1,4-dicarboxamide has a molecular weight of 356.42 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-1-N-(2,4-dimethoxyphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109044149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).