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

C20H24N2O2 — CID 46807135

IUPAC4-N-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene-1,4-dicarboxamide
SMILESCC(C)Cc1ccc(C(C)NC(=O)c2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C20H24N2O2/c1-13(2)12-15-4-6-16(7-5-15)14(3)22-20(24)18-10-8-17(9-11-18)19(21)23/h4-11,13-14H,12H2,1-3H3,(H2,21,23)(H,22,24)
InChIKeyMCVHHDOPQVYMLZ-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.47
Rot. Bonds6

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

4-N-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene-1,4-dicarboxamide (PubChem CID 46807135) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 4-N-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene-1,4-dicarboxamide
PubChem CID46807135
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name4-N-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene-1,4-dicarboxamide
SMILESCC(C)Cc1ccc(C(C)NC(=O)c2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C20H24N2O2/c1-13(2)12-15-4-6-16(7-5-15)14(3)22-20(24)18-10-8-17(9-11-18)19(21)23/h4-11,13-14H,12H2,1-3H3,(H2,21,23)(H,22,24)
InChIKeyMCVHHDOPQVYMLZ-UHFFFAOYSA-N
XLogP3.47
TPSA72.19 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 ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 4837318
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 2452902
N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 2452904
3,5-dimethyl-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 8018859
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 26008402
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]thiophene-2-carboxamide
CID 8500551
5-bromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]thiophene-3-carboxamide
CID 63525114
4-[methoxy(methyl)sulfamoyl]-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 9162366
4-[(1R)-1-acetamidoethyl]benzamide
CID 175730971
4-(aminomethyl)-N-[1-(4-ethylphenyl)ethyl]benzamide;hydrochloride
CID 119269307
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-methylbenzamide
CID 51857347
2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanediamide
CID 60848149

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene-1,4-dicarboxamide (CID 46807135) is 4-N-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene-1,4-dicarboxamide is CC(C)Cc1ccc(C(C)NC(=O)c2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of 4-N-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene-1,4-dicarboxamide?
The InChIKey is MCVHHDOPQVYMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-13(2)12-15-4-6-16(7-5-15)14(3)22-20(24)18-10-8-17(9-11-18)19(21)23/h4-11,13-14H,12H2,1-3H3,(H2,21,23)(H,22,24).
What are the key properties of 4-N-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene-1,4-dicarboxamide?
4-N-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene-1,4-dicarboxamide has a molecular weight of 324.42 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 46807135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).