3-N-benzyl-1-N-(2-methylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide

C25H26N2O2 — CID 109056154

IUPAC3-N-benzyl-1-N-(2-methylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
SMILESCc1ccccc1NC(=O)c1cccc(C(=O)N(Cc2ccccc2)C(C)C)c1
InChIInChI=1S/C25H26N2O2/c1-18(2)27(17-20-11-5-4-6-12-20)25(29)22-14-9-13-21(16-22)24(28)26-23-15-8-7-10-19(23)3/h4-16,18H,17H2,1-3H3,(H,26,28)
InChIKeyWOICAZZOGXTOHH-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.30
Rot. Bonds6

About 3-N-benzyl-1-N-(2-methylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide

3-N-benzyl-1-N-(2-methylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide (PubChem CID 109056154) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 3-N-benzyl-1-N-(2-methylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-benzyl-1-N-(2-methylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
PubChem CID109056154
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name3-N-benzyl-1-N-(2-methylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
SMILESCc1ccccc1NC(=O)c1cccc(C(=O)N(Cc2ccccc2)C(C)C)c1
InChIInChI=1S/C25H26N2O2/c1-18(2)27(17-20-11-5-4-6-12-20)25(29)22-14-9-13-21(16-22)24(28)26-23-15-8-7-10-19(23)3/h4-16,18H,17H2,1-3H3,(H,26,28)
InChIKeyWOICAZZOGXTOHH-UHFFFAOYSA-N
XLogP5.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(2-methylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109055274
3-N-benzyl-1-N-(4-cyanophenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109056164
4-[benzyl(propan-2-yl)sulfamoyl]-N-(2-methylphenyl)benzamide
CID 7189729
2-[benzyl(propan-2-yl)amino]-N-(2-methylphenyl)pyridine-4-carboxamide
CID 109175151
N-benzyl-3-bromo-4-methyl-N-propan-2-ylbenzamide
CID 81457215
1-benzyl-3-(2-methylphenyl)-1-propan-2-ylthiourea
CID 8616181
4-N-benzyl-4-N-methyl-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109047105
3-N-butan-2-yl-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109051512
3-N-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056848
3-N-benzyl-1-N-(2-ethylphenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109054542
N-benzyl-2-methyl-N-propan-2-ylbenzamide
CID 562391
1-N-[2-(4-chlorophenyl)ethyl]-3-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109055685

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-1-N-(2-methylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-benzyl-1-N-(2-methylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide (CID 109056154) is 3-N-benzyl-1-N-(2-methylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-benzyl-1-N-(2-methylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-benzyl-1-N-(2-methylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide is Cc1ccccc1NC(=O)c1cccc(C(=O)N(Cc2ccccc2)C(C)C)c1.
What is the InChIKey of 3-N-benzyl-1-N-(2-methylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide?
The InChIKey is WOICAZZOGXTOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-18(2)27(17-20-11-5-4-6-12-20)25(29)22-14-9-13-21(16-22)24(28)26-23-15-8-7-10-19(23)3/h4-16,18H,17H2,1-3H3,(H,26,28).
What are the key properties of 3-N-benzyl-1-N-(2-methylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide?
3-N-benzyl-1-N-(2-methylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide has a molecular weight of 386.50 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzyl-1-N-(2-methylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 109056154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).