1-N,4-N-bis[3-(diethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide

C30H40N4O4 — CID 17195088

IUPAC1-N,4-N-bis[3-(diethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)C2CCC(C(=O)Nc3cccc(C(=O)N(CC)CC)c3)CC2)c1
InChIInChI=1S/C30H40N4O4/c1-5-33(6-2)29(37)23-11-9-13-25(19-23)31-27(35)21-15-17-22(18-16-21)28(36)32-26-14-10-12-24(20-26)30(38)34(7-3)8-4/h9-14,19-22H,5-8,15-18H2,1-4H3,(H,31,35)(H,32,36)
InChIKeyAFXAJKVIUFFFFU-UHFFFAOYSA-N
MW520.67 g/mol
LogP5.03
Rot. Bonds10

About 1-N,4-N-bis[3-(diethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide

1-N,4-N-bis[3-(diethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide (PubChem CID 17195088) has the molecular formula C30H40N4O4 and a molecular weight of 520.67 g/mol. Its IUPAC name is 1-N,4-N-bis[3-(diethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis[3-(diethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
PubChem CID17195088
Molecular FormulaC30H40N4O4
Molecular Weight520.67 g/mol
Exact Mass520.30
IUPAC Name1-N,4-N-bis[3-(diethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)C2CCC(C(=O)Nc3cccc(C(=O)N(CC)CC)c3)CC2)c1
InChIInChI=1S/C30H40N4O4/c1-5-33(6-2)29(37)23-11-9-13-25(19-23)31-27(35)21-15-17-22(18-16-21)28(36)32-26-14-10-12-24(20-26)30(38)34(7-3)8-4/h9-14,19-22H,5-8,15-18H2,1-4H3,(H,31,35)(H,32,36)
InChIKeyAFXAJKVIUFFFFU-UHFFFAOYSA-N
XLogP5.03
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.67
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 31973447
3-[(3-aminocyclopentanecarbonyl)amino]-N,N-diethylbenzamide
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3-[(3-aminocyclopentanecarbonyl)amino]-N,N-diethylbenzamide;hydrochloride
CID 119685392
(2S)-N-[3-(diethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119269061
N-[3-(diethylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134041040
3-N-[3-(diethylcarbamoyl)phenyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 102556035
N-[3-(diethylcarbamoyl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 26079950
3-(cyclopropylcarbamothioylamino)-N,N-diethylbenzamide
CID 8629357
3-(cyclopentanecarbonylamino)-N,N-dimethylbenzamide
CID 29331430
N,N-diethyl-3-(methylcarbamoylamino)benzamide
CID 47173763
3-(cyclohexanecarbonylamino)-N,N-dimethylbenzamide
CID 17231797
3-(cyclopropanecarbonylamino)-N-piperidin-4-yl-N-propylbenzamide
CID 119824906

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[3-(diethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis[3-(diethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide (CID 17195088) is 1-N,4-N-bis[3-(diethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis[3-(diethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis[3-(diethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide is CCN(CC)C(=O)c1cccc(NC(=O)C2CCC(C(=O)Nc3cccc(C(=O)N(CC)CC)c3)CC2)c1.
What is the InChIKey of 1-N,4-N-bis[3-(diethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide?
The InChIKey is AFXAJKVIUFFFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N4O4/c1-5-33(6-2)29(37)23-11-9-13-25(19-23)31-27(35)21-15-17-22(18-16-21)28(36)32-26-14-10-12-24(20-26)30(38)34(7-3)8-4/h9-14,19-22H,5-8,15-18H2,1-4H3,(H,31,35)(H,32,36).
What are the key properties of 1-N,4-N-bis[3-(diethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide?
1-N,4-N-bis[3-(diethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide has a molecular weight of 520.67 g/mol, XLogP of 5.03, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[3-(diethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 17195088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).