1-N-benzyl-4-N,4-N-dicyclohexylbenzene-1,4-dicarboxamide

C27H34N2O2 — CID 2056359

IUPAC1-N-benzyl-4-N,4-N-dicyclohexylbenzene-1,4-dicarboxamide
SMILESO=C(NCc1ccccc1)c1ccc(C(=O)N(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C27H34N2O2/c30-26(28-20-21-10-4-1-5-11-21)22-16-18-23(19-17-22)27(31)29(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1,4-5,10-11,16-19,24-25H,2-3,6-9,12-15,20H2,(H,28,30)
InChIKeyBMEBNMBANZRCJA-UHFFFAOYSA-N
MW418.58 g/mol
LogP5.72
Rot. Bonds6

About 1-N-benzyl-4-N,4-N-dicyclohexylbenzene-1,4-dicarboxamide

1-N-benzyl-4-N,4-N-dicyclohexylbenzene-1,4-dicarboxamide (PubChem CID 2056359) has the molecular formula C27H34N2O2 and a molecular weight of 418.58 g/mol. Its IUPAC name is 1-N-benzyl-4-N,4-N-dicyclohexylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-4-N,4-N-dicyclohexylbenzene-1,4-dicarboxamide
PubChem CID2056359
Molecular FormulaC27H34N2O2
Molecular Weight418.58 g/mol
Exact Mass418.26
IUPAC Name1-N-benzyl-4-N,4-N-dicyclohexylbenzene-1,4-dicarboxamide
SMILESO=C(NCc1ccccc1)c1ccc(C(=O)N(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C27H34N2O2/c30-26(28-20-21-10-4-1-5-11-21)22-16-18-23(19-17-22)27(31)29(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1,4-5,10-11,16-19,24-25H,2-3,6-9,12-15,20H2,(H,28,30)
InChIKeyBMEBNMBANZRCJA-UHFFFAOYSA-N
XLogP5.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.58
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-4-N,4-N-dicyclohexylbenzene-1,4-dicarboxamide?
The IUPAC name of 1-N-benzyl-4-N,4-N-dicyclohexylbenzene-1,4-dicarboxamide (CID 2056359) is 1-N-benzyl-4-N,4-N-dicyclohexylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-4-N,4-N-dicyclohexylbenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-benzyl-4-N,4-N-dicyclohexylbenzene-1,4-dicarboxamide is O=C(NCc1ccccc1)c1ccc(C(=O)N(C2CCCCC2)C2CCCCC2)cc1.
What is the InChIKey of 1-N-benzyl-4-N,4-N-dicyclohexylbenzene-1,4-dicarboxamide?
The InChIKey is BMEBNMBANZRCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O2/c30-26(28-20-21-10-4-1-5-11-21)22-16-18-23(19-17-22)27(31)29(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1,4-5,10-11,16-19,24-25H,2-3,6-9,12-15,20H2,(H,28,30).
What are the key properties of 1-N-benzyl-4-N,4-N-dicyclohexylbenzene-1,4-dicarboxamide?
1-N-benzyl-4-N,4-N-dicyclohexylbenzene-1,4-dicarboxamide has a molecular weight of 418.58 g/mol, XLogP of 5.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-4-N,4-N-dicyclohexylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 2056359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).