1-N,4-N-bis[2-(2-phenylethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide

C38H40N4O4 — CID 4930342

IUPAC1-N,4-N-bis[2-(2-phenylethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
SMILESO=C(NCCc1ccccc1)c1ccccc1NC(=O)C1CCC(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)CC1
InChIInChI=1S/C38H40N4O4/c43-35(41-33-17-9-7-15-31(33)37(45)39-25-23-27-11-3-1-4-12-27)29-19-21-30(22-20-29)36(44)42-34-18-10-8-16-32(34)38(46)40-26-24-28-13-5-2-6-14-28/h1-18,29-30H,19-26H2,(H,39,45)(H,40,46)(H,41,43)(H,42,44)
InChIKeyZCWWCIZJIGNWNF-UHFFFAOYSA-N
MW616.76 g/mol
LogP6.02
Rot. Bonds12

About 1-N,4-N-bis[2-(2-phenylethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide

1-N,4-N-bis[2-(2-phenylethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide (PubChem CID 4930342) has the molecular formula C38H40N4O4 and a molecular weight of 616.76 g/mol. Its IUPAC name is 1-N,4-N-bis[2-(2-phenylethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis[2-(2-phenylethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
PubChem CID4930342
Molecular FormulaC38H40N4O4
Molecular Weight616.76 g/mol
Exact Mass616.30
IUPAC Name1-N,4-N-bis[2-(2-phenylethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
SMILESO=C(NCCc1ccccc1)c1ccccc1NC(=O)C1CCC(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)CC1
InChIInChI=1S/C38H40N4O4/c43-35(41-33-17-9-7-15-31(33)37(45)39-25-23-27-11-3-1-4-12-27)29-19-21-30(22-20-29)36(44)42-34-18-10-8-16-32(34)38(46)40-26-24-28-13-5-2-6-14-28/h1-18,29-30H,19-26H2,(H,39,45)(H,40,46)(H,41,43)(H,42,44)
InChIKeyZCWWCIZJIGNWNF-UHFFFAOYSA-N
XLogP6.02
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.76
LogP ≤ 56.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-phenylethylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 29441570
(1S,6S)-6-[[2-(2-phenylethylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 1236317
[2-(2-phenylethylcarbamoyl)phenyl]carbamothioic S-acid
CID 155166285
2-[[2-[(2-phenylacetyl)amino]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 33252278
N-(2-aminoethyl)-2-(cyclohexanecarbonylamino)benzamide;hydrochloride
CID 120604417
1-(4-chlorophenyl)sulfonyl-N-[2-(2-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 133189446
4-oxo-4-[2-(2-phenylethylcarbamoyl)anilino]but-2-enoic acid
CID 4929672
1-[(3,4-dichlorophenyl)methyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43923526
4-N-(2-fluorophenyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
CID 109149531
2-[[2-(2-chlorophenyl)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 29456122
2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide
CID 9329082
4-N-(2,6-difluorophenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109149014

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[2-(2-phenylethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis[2-(2-phenylethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide (CID 4930342) is 1-N,4-N-bis[2-(2-phenylethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis[2-(2-phenylethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis[2-(2-phenylethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide is O=C(NCCc1ccccc1)c1ccccc1NC(=O)C1CCC(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)CC1.
What is the InChIKey of 1-N,4-N-bis[2-(2-phenylethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide?
The InChIKey is ZCWWCIZJIGNWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H40N4O4/c43-35(41-33-17-9-7-15-31(33)37(45)39-25-23-27-11-3-1-4-12-27)29-19-21-30(22-20-29)36(44)42-34-18-10-8-16-32(34)38(46)40-26-24-28-13-5-2-6-14-28/h1-18,29-30H,19-26H2,(H,39,45)(H,40,46)(H,41,43)(H,42,44).
What are the key properties of 1-N,4-N-bis[2-(2-phenylethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide?
1-N,4-N-bis[2-(2-phenylethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide has a molecular weight of 616.76 g/mol, XLogP of 6.02, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[2-(2-phenylethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 4930342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).