4-N,4-N-dicyclohexyl-1-N-(1-phenylcyclopropyl)benzene-1,4-dicarboxamide

C29H36N2O2 — CID 3923780

IUPAC4-N,4-N-dicyclohexyl-1-N-(1-phenylcyclopropyl)benzene-1,4-dicarboxamide
SMILESO=C(NC1(c2ccccc2)CC1)c1ccc(C(=O)N(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C29H36N2O2/c32-27(30-29(20-21-29)24-10-4-1-5-11-24)22-16-18-23(19-17-22)28(33)31(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1,4-5,10-11,16-19,25-26H,2-3,6-9,12-15,20-21H2,(H,30,32)
InChIKeyMKGXTOWCLUBYAD-UHFFFAOYSA-N
MW444.62 g/mol
LogP6.21
Rot. Bonds6

About 4-N,4-N-dicyclohexyl-1-N-(1-phenylcyclopropyl)benzene-1,4-dicarboxamide

4-N,4-N-dicyclohexyl-1-N-(1-phenylcyclopropyl)benzene-1,4-dicarboxamide (PubChem CID 3923780) has the molecular formula C29H36N2O2 and a molecular weight of 444.62 g/mol. Its IUPAC name is 4-N,4-N-dicyclohexyl-1-N-(1-phenylcyclopropyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N,4-N-dicyclohexyl-1-N-(1-phenylcyclopropyl)benzene-1,4-dicarboxamide
PubChem CID3923780
Molecular FormulaC29H36N2O2
Molecular Weight444.62 g/mol
Exact Mass444.28
IUPAC Name4-N,4-N-dicyclohexyl-1-N-(1-phenylcyclopropyl)benzene-1,4-dicarboxamide
SMILESO=C(NC1(c2ccccc2)CC1)c1ccc(C(=O)N(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C29H36N2O2/c32-27(30-29(20-21-29)24-10-4-1-5-11-24)22-16-18-23(19-17-22)28(33)31(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1,4-5,10-11,16-19,25-26H,2-3,6-9,12-15,20-21H2,(H,30,32)
InChIKeyMKGXTOWCLUBYAD-UHFFFAOYSA-N
XLogP6.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.62
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-N,4-N-dicyclohexyl-1-N-(1-phenylcyclopropyl)benzene-1,4-dicarboxamide with MolForge

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Related Compounds

N-(1-phenylcyclopropyl)-4-(trifluoromethyl)benzamide
CID 110445847
N,N-dicyclohexyl-1-phenylcyclopropane-1-carboxamide
CID 3231412
N,N-dicyclohexyl-4-fluorobenzamide
CID 784952
4-bromo-N-cyclohexyl-N-cyclopentylbenzamide
CID 19754888
3,4-dichloro-N-(1-phenylcyclopropyl)benzamide
CID 110444165
4-methylsulfinyl-N-(1-phenylcyclobutyl)benzamide
CID 51273167
2-chloro-N-[4-(dicyclohexylcarbamoyl)phenyl]benzamide
CID 2214995
2-cyclohexyl-N-(1-phenylcyclobutyl)acetamide
CID 55461959
4-N,4-N-dicyclohexyl-1-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzene-1,4-dicarboxamide
CID 4531775
2-hydroxy-N-(1-phenylcyclopropyl)benzamide
CID 110485071
N-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]benzamide
CID 134056216
4-amino-3-methyl-N-(1-phenylcyclopropyl)benzamide
CID 110464061

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dicyclohexyl-1-N-(1-phenylcyclopropyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N,4-N-dicyclohexyl-1-N-(1-phenylcyclopropyl)benzene-1,4-dicarboxamide (CID 3923780) is 4-N,4-N-dicyclohexyl-1-N-(1-phenylcyclopropyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N,4-N-dicyclohexyl-1-N-(1-phenylcyclopropyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N,4-N-dicyclohexyl-1-N-(1-phenylcyclopropyl)benzene-1,4-dicarboxamide is O=C(NC1(c2ccccc2)CC1)c1ccc(C(=O)N(C2CCCCC2)C2CCCCC2)cc1.
What is the InChIKey of 4-N,4-N-dicyclohexyl-1-N-(1-phenylcyclopropyl)benzene-1,4-dicarboxamide?
The InChIKey is MKGXTOWCLUBYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2O2/c32-27(30-29(20-21-29)24-10-4-1-5-11-24)22-16-18-23(19-17-22)28(33)31(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1,4-5,10-11,16-19,25-26H,2-3,6-9,12-15,20-21H2,(H,30,32).
What are the key properties of 4-N,4-N-dicyclohexyl-1-N-(1-phenylcyclopropyl)benzene-1,4-dicarboxamide?
4-N,4-N-dicyclohexyl-1-N-(1-phenylcyclopropyl)benzene-1,4-dicarboxamide has a molecular weight of 444.62 g/mol, XLogP of 6.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dicyclohexyl-1-N-(1-phenylcyclopropyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 3923780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).