N-cyclohexyl-N-[2,2-diphenylethenyl(propan-2-yl)carbamoyl]-4-methylbenzamide

C32H36N2O2 — CID 139094266

IUPACN-cyclohexyl-N-[2,2-diphenylethenyl(propan-2-yl)carbamoyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N(C(=O)N(C=C(c2ccccc2)c2ccccc2)C(C)C)C2CCCCC2)cc1
InChIInChI=1S/C32H36N2O2/c1-24(2)33(23-30(26-13-7-4-8-14-26)27-15-9-5-10-16-27)32(36)34(29-17-11-6-12-18-29)31(35)28-21-19-25(3)20-22-28/h4-5,7-10,13-16,19-24,29H,6,11-12,17-18H2,1-3H3
InChIKeyDIESMVDUPMHGCW-UHFFFAOYSA-N
MW480.65 g/mol
LogP7.69
Rot. Bonds6

About N-cyclohexyl-N-[2,2-diphenylethenyl(propan-2-yl)carbamoyl]-4-methylbenzamide

N-cyclohexyl-N-[2,2-diphenylethenyl(propan-2-yl)carbamoyl]-4-methylbenzamide (PubChem CID 139094266) has the molecular formula C32H36N2O2 and a molecular weight of 480.65 g/mol. Its IUPAC name is N-cyclohexyl-N-[2,2-diphenylethenyl(propan-2-yl)carbamoyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[2,2-diphenylethenyl(propan-2-yl)carbamoyl]-4-methylbenzamide
PubChem CID139094266
Molecular FormulaC32H36N2O2
Molecular Weight480.65 g/mol
Exact Mass480.28
IUPAC NameN-cyclohexyl-N-[2,2-diphenylethenyl(propan-2-yl)carbamoyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N(C(=O)N(C=C(c2ccccc2)c2ccccc2)C(C)C)C2CCCCC2)cc1
InChIInChI=1S/C32H36N2O2/c1-24(2)33(23-30(26-13-7-4-8-14-26)27-15-9-5-10-16-27)32(36)34(29-17-11-6-12-18-29)31(35)28-21-19-25(3)20-22-28/h4-5,7-10,13-16,19-24,29H,6,11-12,17-18H2,1-3H3
InChIKeyDIESMVDUPMHGCW-UHFFFAOYSA-N
XLogP7.69
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.65
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenone(7)', 'substructure': 'N/A'}

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Related Compounds

N-[2-[benzoyl(cyclohexyl)amino]-2-chloroethenyl]-N-cyclohexylbenzamide
CID 4575082
methyl 3-[1-cyclohexylethyl(2,2-diphenylethenyl)amino]-3-oxopropanoate
CID 85354913
N-[(1S)-1-cyclopropylethyl]-4-methyl-N-phenylbenzamide
CID 6923903
N-cyclohexyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpentanoyl]-4-methylbenzamide
CID 134846553
1-(2,2-diphenylethenyl)-3-phenyl-3-(phenylcarbamoyl)-1-propan-2-ylurea
CID 139094277
N-cyclohexyl-N-(4-methylbenzoyl)-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 132575511
N-[2-[benzoyl(cyclohexyl)amino]phenyl]-N-cyclohexylbenzamide
CID 171577199
N-benzoyl-4-methylbenzohydrazide
CID 174274321
N-[(3R)-3-[benzoyl(methyl)amino]cyclohexyl]-N-methylbenzamide
CID 143430707
benzoic acid;N,N-dimethylcyclohexanamine
CID 173305474
ethyl (E)-3-[(4-chlorobenzoyl)-cyclopentylamino]-3-(1-phenylethenylsulfanyl)prop-2-enoate
CID 143070303
N,N-bis(cyclohexylmethyl)-2,2-diphenylethenamine
CID 59845327

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[2,2-diphenylethenyl(propan-2-yl)carbamoyl]-4-methylbenzamide?
The IUPAC name of N-cyclohexyl-N-[2,2-diphenylethenyl(propan-2-yl)carbamoyl]-4-methylbenzamide (CID 139094266) is N-cyclohexyl-N-[2,2-diphenylethenyl(propan-2-yl)carbamoyl]-4-methylbenzamide.
What is the SMILES notation for N-cyclohexyl-N-[2,2-diphenylethenyl(propan-2-yl)carbamoyl]-4-methylbenzamide?
The canonical SMILES for N-cyclohexyl-N-[2,2-diphenylethenyl(propan-2-yl)carbamoyl]-4-methylbenzamide is Cc1ccc(C(=O)N(C(=O)N(C=C(c2ccccc2)c2ccccc2)C(C)C)C2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-N-[2,2-diphenylethenyl(propan-2-yl)carbamoyl]-4-methylbenzamide?
The InChIKey is DIESMVDUPMHGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N2O2/c1-24(2)33(23-30(26-13-7-4-8-14-26)27-15-9-5-10-16-27)32(36)34(29-17-11-6-12-18-29)31(35)28-21-19-25(3)20-22-28/h4-5,7-10,13-16,19-24,29H,6,11-12,17-18H2,1-3H3.
What are the key properties of N-cyclohexyl-N-[2,2-diphenylethenyl(propan-2-yl)carbamoyl]-4-methylbenzamide?
N-cyclohexyl-N-[2,2-diphenylethenyl(propan-2-yl)carbamoyl]-4-methylbenzamide has a molecular weight of 480.65 g/mol, XLogP of 7.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[2,2-diphenylethenyl(propan-2-yl)carbamoyl]-4-methylbenzamide is sourced from PubChem (CID 139094266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).