1-N-(2-methylpropyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide

C20H24N2O2 — CID 109051265

IUPAC1-N-(2-methylpropyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
SMILESCC(C)CNC(=O)c1cccc(C(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C20H24N2O2/c1-14(2)13-21-19(23)17-10-7-11-18(12-17)20(24)22-15(3)16-8-5-4-6-9-16/h4-12,14-15H,13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyOIXAKBLXQMDNMF-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.56
Rot. Bonds6

About 1-N-(2-methylpropyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide

1-N-(2-methylpropyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide (PubChem CID 109051265) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-N-(2-methylpropyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-methylpropyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
PubChem CID109051265
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-N-(2-methylpropyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
SMILESCC(C)CNC(=O)c1cccc(C(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C20H24N2O2/c1-14(2)13-21-19(23)17-10-7-11-18(12-17)20(24)22-15(3)16-8-5-4-6-9-16/h4-12,14-15H,13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyOIXAKBLXQMDNMF-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-butyl-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109051078
1-N-butan-2-yl-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109051451
3-iodo-N-[(1R)-1-phenylethyl]benzamide
CID 1101324
methyl 3-(2-methylpropylcarbamoyl)benzoate
CID 108786629
3-N-benzyl-3-N-ethyl-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109054430
3-methyl-N-(2-methylpropyl)benzamide
CID 835315
1-N-(3,5-dimethylphenyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109054462
3-(2-aminoethyl)-N-[(1R)-1-phenylethyl]benzamide
CID 107863937
3-(2-phenoxyethoxy)-N-(1-phenylethyl)benzamide
CID 4954951
N-(1-phenylethyl)-3-(propanoylamino)benzamide
CID 17309569
5-(1-phenylethylcarbamoyl)benzene-1,3-dicarboxylic acid;sulfanylidenephosphane
CID 159120234
3-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]-N-[(1S)-1-phenylethyl]benzamide
CID 11775167

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methylpropyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-(2-methylpropyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide (CID 109051265) is 1-N-(2-methylpropyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(2-methylpropyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-(2-methylpropyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide is CC(C)CNC(=O)c1cccc(C(=O)NC(C)c2ccccc2)c1.
What is the InChIKey of 1-N-(2-methylpropyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide?
The InChIKey is OIXAKBLXQMDNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-14(2)13-21-19(23)17-10-7-11-18(12-17)20(24)22-15(3)16-8-5-4-6-9-16/h4-12,14-15H,13H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 1-N-(2-methylpropyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide?
1-N-(2-methylpropyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide has a molecular weight of 324.42 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methylpropyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109051265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).