4-N-butyl-1-N-[(2-methoxyphenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide

C21H26N2O3 — CID 109047373

IUPAC4-N-butyl-1-N-[(2-methoxyphenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
SMILESCCCCN(C)C(=O)c1ccc(C(=O)NCc2ccccc2OC)cc1
InChIInChI=1S/C21H26N2O3/c1-4-5-14-23(2)21(25)17-12-10-16(11-13-17)20(24)22-15-18-8-6-7-9-19(18)26-3/h6-13H,4-5,14-15H2,1-3H3,(H,22,24)
InChIKeyWQSCNUVZEDHQDV-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.50
Rot. Bonds8

About 4-N-butyl-1-N-[(2-methoxyphenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide

4-N-butyl-1-N-[(2-methoxyphenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide (PubChem CID 109047373) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-N-butyl-1-N-[(2-methoxyphenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-butyl-1-N-[(2-methoxyphenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
PubChem CID109047373
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name4-N-butyl-1-N-[(2-methoxyphenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
SMILESCCCCN(C)C(=O)c1ccc(C(=O)NCc2ccccc2OC)cc1
InChIInChI=1S/C21H26N2O3/c1-4-5-14-23(2)21(25)17-12-10-16(11-13-17)20(24)22-15-18-8-6-7-9-19(18)26-3/h6-13H,4-5,14-15H2,1-3H3,(H,22,24)
InChIKeyWQSCNUVZEDHQDV-UHFFFAOYSA-N
XLogP3.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2-[(2-methoxyphenyl)methylamino]-N-methylpyrimidine-5-carboxamide
CID 109257900
4-tert-butyl-N-[(2-methoxyphenyl)methyl]benzamide
CID 795553
3-[butyl(methyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 109021987
1-N-butyl-3-N-[(2-methoxyphenyl)methyl]-1-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070541
N-butyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyridine-3-carboxamide
CID 109158752
N-[(2-methoxyphenyl)methyl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 951576
4-hydrazinyl-N-[(2-methoxyphenyl)methyl]benzamide
CID 62236486
4-[methoxy(methyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 8927243
4-N-butyl-4-N-methyl-1-N-(2-phenylethyl)benzene-1,4-dicarboxamide
CID 109047835
3-N-butyl-1-N-[(3,4-dimethoxyphenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide
CID 109055697
4-N-butyl-4-N-methyl-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047745
4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide
CID 17018061

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-1-N-[(2-methoxyphenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide?
The IUPAC name of 4-N-butyl-1-N-[(2-methoxyphenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide (CID 109047373) is 4-N-butyl-1-N-[(2-methoxyphenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-butyl-1-N-[(2-methoxyphenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-butyl-1-N-[(2-methoxyphenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide is CCCCN(C)C(=O)c1ccc(C(=O)NCc2ccccc2OC)cc1.
What is the InChIKey of 4-N-butyl-1-N-[(2-methoxyphenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide?
The InChIKey is WQSCNUVZEDHQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-4-5-14-23(2)21(25)17-12-10-16(11-13-17)20(24)22-15-18-8-6-7-9-19(18)26-3/h6-13H,4-5,14-15H2,1-3H3,(H,22,24).
What are the key properties of 4-N-butyl-1-N-[(2-methoxyphenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide?
4-N-butyl-1-N-[(2-methoxyphenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide has a molecular weight of 354.45 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-1-N-[(2-methoxyphenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109047373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).