4-N-[1-(2-methylphenyl)ethyl]benzene-1,4-dicarboxamide

C17H18N2O2 — CID 51175514

IUPAC4-N-[1-(2-methylphenyl)ethyl]benzene-1,4-dicarboxamide
SMILESCc1ccccc1C(C)NC(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C17H18N2O2/c1-11-5-3-4-6-15(11)12(2)19-17(21)14-9-7-13(8-10-14)16(18)20/h3-10,12H,1-2H3,(H2,18,20)(H,19,21)
InChIKeyLZVWEBLQRIGQGQ-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.58
Rot. Bonds4

About 4-N-[1-(2-methylphenyl)ethyl]benzene-1,4-dicarboxamide

4-N-[1-(2-methylphenyl)ethyl]benzene-1,4-dicarboxamide (PubChem CID 51175514) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-N-[1-(2-methylphenyl)ethyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[1-(2-methylphenyl)ethyl]benzene-1,4-dicarboxamide
PubChem CID51175514
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name4-N-[1-(2-methylphenyl)ethyl]benzene-1,4-dicarboxamide
SMILESCc1ccccc1C(C)NC(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C17H18N2O2/c1-11-5-3-4-6-15(11)12(2)19-17(21)14-9-7-13(8-10-14)16(18)20/h3-10,12H,1-2H3,(H2,18,20)(H,19,21)
InChIKeyLZVWEBLQRIGQGQ-UHFFFAOYSA-N
XLogP2.58
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-acetamido-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide
CID 51456710
4-(difluoromethoxy)-N-[1-(2-methylphenyl)ethyl]benzamide
CID 112762317
4-(chloromethyl)-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide
CID 81375390
3-(carbamoylamino)-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide
CID 26309834
3,4-dihydroxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 103955435
3-hydroxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 60638374
3-chloro-4-hydroxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 18111876
2-amino-6-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 61118569
4-(aminomethyl)-N-[1-(2,3-dimethylphenyl)ethyl]benzamide
CID 119327103
3,5-dimethoxy-4-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 112762358
4-ethoxy-3-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 133209826
4-methyl-N-[1-(2-methylphenyl)ethyl]-3-nitrobenzamide
CID 112762357

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(2-methylphenyl)ethyl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[1-(2-methylphenyl)ethyl]benzene-1,4-dicarboxamide (CID 51175514) is 4-N-[1-(2-methylphenyl)ethyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[1-(2-methylphenyl)ethyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[1-(2-methylphenyl)ethyl]benzene-1,4-dicarboxamide is Cc1ccccc1C(C)NC(=O)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-N-[1-(2-methylphenyl)ethyl]benzene-1,4-dicarboxamide?
The InChIKey is LZVWEBLQRIGQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-11-5-3-4-6-15(11)12(2)19-17(21)14-9-7-13(8-10-14)16(18)20/h3-10,12H,1-2H3,(H2,18,20)(H,19,21).
What are the key properties of 4-N-[1-(2-methylphenyl)ethyl]benzene-1,4-dicarboxamide?
4-N-[1-(2-methylphenyl)ethyl]benzene-1,4-dicarboxamide has a molecular weight of 282.34 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(2-methylphenyl)ethyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 51175514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).