4-N-benzyl-1-N-butan-2-yl-4-N-phenylbenzene-1,4-dicarboxamide

C25H26N2O2 — CID 109044170

IUPAC4-N-benzyl-1-N-butan-2-yl-4-N-phenylbenzene-1,4-dicarboxamide
SMILESCCC(C)NC(=O)c1ccc(C(=O)N(Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H26N2O2/c1-3-19(2)26-24(28)21-14-16-22(17-15-21)25(29)27(23-12-8-5-9-13-23)18-20-10-6-4-7-11-20/h4-17,19H,3,18H2,1-2H3,(H,26,28)
InChIKeyLUKVVMBRPVVFMW-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.06
Rot. Bonds7

About 4-N-benzyl-1-N-butan-2-yl-4-N-phenylbenzene-1,4-dicarboxamide

4-N-benzyl-1-N-butan-2-yl-4-N-phenylbenzene-1,4-dicarboxamide (PubChem CID 109044170) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 4-N-benzyl-1-N-butan-2-yl-4-N-phenylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-benzyl-1-N-butan-2-yl-4-N-phenylbenzene-1,4-dicarboxamide
PubChem CID109044170
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name4-N-benzyl-1-N-butan-2-yl-4-N-phenylbenzene-1,4-dicarboxamide
SMILESCCC(C)NC(=O)c1ccc(C(=O)N(Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H26N2O2/c1-3-19(2)26-24(28)21-14-16-22(17-15-21)25(29)27(23-12-8-5-9-13-23)18-20-10-6-4-7-11-20/h4-17,19H,3,18H2,1-2H3,(H,26,28)
InChIKeyLUKVVMBRPVVFMW-UHFFFAOYSA-N
XLogP5.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-benzyl-4-N-butan-2-yl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109080088
methyl 4-[benzyl(phenyl)carbamoyl]benzoate
CID 24819418
2-(N-benzylanilino)-N-butan-2-ylpyrimidine-5-carboxamide
CID 109248973
[2-(N-benzylanilino)-2-oxoethyl] 3-benzamidobutanoate
CID 55481805
N-benzyl-4-chloro-N-phenylbenzamide
CID 20787883
N-benzyl-4-bromo-N-phenylbenzamide
CID 15817231
2-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]-N-butan-2-ylacetamide
CID 55566381
5-[benzyl(methyl)amino]-N-butan-2-ylpyridine-3-carboxamide
CID 109225138
2-[benzyl(methyl)amino]-N-butan-2-ylpyrimidine-5-carboxamide
CID 109248842
1-N-butan-2-yl-4-N,4-N-dipropylbenzene-1,4-dicarboxamide
CID 109044096
1-N-benzyl-1-N,4-N-diethyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109047506
6-[benzyl(ethyl)amino]-N-butan-2-ylpyridine-3-carboxamide
CID 109152040

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-1-N-butan-2-yl-4-N-phenylbenzene-1,4-dicarboxamide?
The IUPAC name of 4-N-benzyl-1-N-butan-2-yl-4-N-phenylbenzene-1,4-dicarboxamide (CID 109044170) is 4-N-benzyl-1-N-butan-2-yl-4-N-phenylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-benzyl-1-N-butan-2-yl-4-N-phenylbenzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-benzyl-1-N-butan-2-yl-4-N-phenylbenzene-1,4-dicarboxamide is CCC(C)NC(=O)c1ccc(C(=O)N(Cc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-N-benzyl-1-N-butan-2-yl-4-N-phenylbenzene-1,4-dicarboxamide?
The InChIKey is LUKVVMBRPVVFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-3-19(2)26-24(28)21-14-16-22(17-15-21)25(29)27(23-12-8-5-9-13-23)18-20-10-6-4-7-11-20/h4-17,19H,3,18H2,1-2H3,(H,26,28).
What are the key properties of 4-N-benzyl-1-N-butan-2-yl-4-N-phenylbenzene-1,4-dicarboxamide?
4-N-benzyl-1-N-butan-2-yl-4-N-phenylbenzene-1,4-dicarboxamide has a molecular weight of 386.50 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-1-N-butan-2-yl-4-N-phenylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109044170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).