1-N,4-N-dicyclohexyl-1-N,4-N-bis(2-hydroxyethyl)benzene-1,4-dicarboxamide

C24H36N2O4 — CID 3317185

IUPAC1-N,4-N-dicyclohexyl-1-N,4-N-bis(2-hydroxyethyl)benzene-1,4-dicarboxamide
SMILESO=C(c1ccc(C(=O)N(CCO)C2CCCCC2)cc1)N(CCO)C1CCCCC1
InChIInChI=1S/C24H36N2O4/c27-17-15-25(21-7-3-1-4-8-21)23(29)19-11-13-20(14-12-19)24(30)26(16-18-28)22-9-5-2-6-10-22/h11-14,21-22,27-28H,1-10,15-18H2
InChIKeyPSWGWXYCFGDUDI-UHFFFAOYSA-N
MW416.56 g/mol
LogP3.22
Rot. Bonds8

About 1-N,4-N-dicyclohexyl-1-N,4-N-bis(2-hydroxyethyl)benzene-1,4-dicarboxamide

1-N,4-N-dicyclohexyl-1-N,4-N-bis(2-hydroxyethyl)benzene-1,4-dicarboxamide (PubChem CID 3317185) has the molecular formula C24H36N2O4 and a molecular weight of 416.56 g/mol. Its IUPAC name is 1-N,4-N-dicyclohexyl-1-N,4-N-bis(2-hydroxyethyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-dicyclohexyl-1-N,4-N-bis(2-hydroxyethyl)benzene-1,4-dicarboxamide
PubChem CID3317185
Molecular FormulaC24H36N2O4
Molecular Weight416.56 g/mol
Exact Mass416.27
IUPAC Name1-N,4-N-dicyclohexyl-1-N,4-N-bis(2-hydroxyethyl)benzene-1,4-dicarboxamide
SMILESO=C(c1ccc(C(=O)N(CCO)C2CCCCC2)cc1)N(CCO)C1CCCCC1
InChIInChI=1S/C24H36N2O4/c27-17-15-25(21-7-3-1-4-8-21)23(29)19-11-13-20(14-12-19)24(30)26(16-18-28)22-9-5-2-6-10-22/h11-14,21-22,27-28H,1-10,15-18H2
InChIKeyPSWGWXYCFGDUDI-UHFFFAOYSA-N
XLogP3.22
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.56
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(bromomethyl)-N-cyclohexyl-N-(2-hydroxyethyl)benzamide
CID 102851284
N-cyclopentyl-N-(2-hydroxyethyl)-4-methylsulfanylbenzamide
CID 54994461
N-cyclobutyl-4-ethyl-N-(2-hydroxyethyl)benzamide
CID 102684931
4-bromo-N-cyclohexyl-3-hydroxy-N-(2-hydroxyethyl)benzamide
CID 103956472
N-cyclopentyl-N-(2-hydroxyethyl)-3,5-dimethylbenzamide
CID 54993921
N-cyclopentyl-3-hydroxy-N-(2-hydroxyethyl)benzamide
CID 54994210
N-cyclohexyl-N-(2-hydroxyethyl)-6-(methylamino)pyridine-3-carboxamide
CID 62174091
N-cyclobutyl-4-(hydroxymethyl)-N-(3-hydroxypropyl)benzamide
CID 102866633
N-cyclohexyl-N-(2-hydroxyethyl)-5-methylfuran-3-carboxamide
CID 114821743
3-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-4-iodobenzamide
CID 102685010
N-cyclopentyl-N-(2-hydroxyethyl)-1H-indole-5-carboxamide
CID 63748789
3-bromo-N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)benzamide
CID 102684435

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dicyclohexyl-1-N,4-N-bis(2-hydroxyethyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-dicyclohexyl-1-N,4-N-bis(2-hydroxyethyl)benzene-1,4-dicarboxamide (CID 3317185) is 1-N,4-N-dicyclohexyl-1-N,4-N-bis(2-hydroxyethyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-dicyclohexyl-1-N,4-N-bis(2-hydroxyethyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-dicyclohexyl-1-N,4-N-bis(2-hydroxyethyl)benzene-1,4-dicarboxamide is O=C(c1ccc(C(=O)N(CCO)C2CCCCC2)cc1)N(CCO)C1CCCCC1.
What is the InChIKey of 1-N,4-N-dicyclohexyl-1-N,4-N-bis(2-hydroxyethyl)benzene-1,4-dicarboxamide?
The InChIKey is PSWGWXYCFGDUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O4/c27-17-15-25(21-7-3-1-4-8-21)23(29)19-11-13-20(14-12-19)24(30)26(16-18-28)22-9-5-2-6-10-22/h11-14,21-22,27-28H,1-10,15-18H2.
What are the key properties of 1-N,4-N-dicyclohexyl-1-N,4-N-bis(2-hydroxyethyl)benzene-1,4-dicarboxamide?
1-N,4-N-dicyclohexyl-1-N,4-N-bis(2-hydroxyethyl)benzene-1,4-dicarboxamide has a molecular weight of 416.56 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dicyclohexyl-1-N,4-N-bis(2-hydroxyethyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 3317185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).