1-N-benzyl-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide

C23H22N2O3 — CID 109046739

IUPAC1-N-benzyl-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc(C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C23H22N2O3/c1-16-8-13-21(28-2)20(14-16)25-23(27)19-11-9-18(10-12-19)22(26)24-15-17-6-4-3-5-7-17/h3-14H,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyUSVLEMUGNQLJMJ-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.19
Rot. Bonds6

About 1-N-benzyl-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide

1-N-benzyl-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide (PubChem CID 109046739) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 1-N-benzyl-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide
PubChem CID109046739
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name1-N-benzyl-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc(C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C23H22N2O3/c1-16-8-13-21(28-2)20(14-16)25-23(27)19-11-9-18(10-12-19)22(26)24-15-17-6-4-3-5-7-17/h3-14H,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyUSVLEMUGNQLJMJ-UHFFFAOYSA-N
XLogP4.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-(2-methoxy-5-methylphenyl)urea
CID 4694869
1-N-[(2-fluorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide
CID 109047212
5-N-(2-methoxy-5-methylphenyl)-3-N-[(3-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105236
1-N-(2-methoxyethyl)-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide
CID 109045188
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide
CID 9215526
2-(benzylcarbamoylamino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 24559532
3-acetamido-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 110764229
N-(2-methoxy-5-methylphenyl)-4-(phenylsulfanylmethyl)benzamide
CID 28771995
N-benzyl-4-methoxy-3-methylbenzamide
CID 17018002
4-methoxy-N-(2-methoxy-5-methylphenyl)benzamide
CID 2302629
N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]benzamide
CID 9098271
3-N-benzyl-5-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109105048

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-benzyl-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide (CID 109046739) is 1-N-benzyl-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-benzyl-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide is COc1ccc(C)cc1NC(=O)c1ccc(C(=O)NCc2ccccc2)cc1.
What is the InChIKey of 1-N-benzyl-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide?
The InChIKey is USVLEMUGNQLJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-16-8-13-21(28-2)20(14-16)25-23(27)19-11-9-18(10-12-19)22(26)24-15-17-6-4-3-5-7-17/h3-14H,15H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 1-N-benzyl-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide?
1-N-benzyl-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide has a molecular weight of 374.44 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109046739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).