N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-(2-pyridin-2-ylethenyl)phenyl]cyclohexanecarboxamide

C35H37N3O — CID 135344271

IUPACN-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-(2-pyridin-2-ylethenyl)phenyl]cyclohexanecarboxamide
SMILESCN(C)c1ccc(-c2ccc(CN(C(=O)C3CCCCC3)c3cccc(C=Cc4ccccn4)c3)cc2)cc1
InChIInChI=1S/C35H37N3O/c1-37(2)33-22-19-30(20-23-33)29-17-14-28(15-18-29)26-38(35(39)31-10-4-3-5-11-31)34-13-8-9-27(25-34)16-21-32-12-6-7-24-36-32/h6-9,12-25,31H,3-5,10-11,26H2,1-2H3
InChIKeyWQSMVAVHDWABTP-UHFFFAOYSA-N
MW515.70 g/mol
LogP8.10
Rot. Bonds8

About N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-(2-pyridin-2-ylethenyl)phenyl]cyclohexanecarboxamide

N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-(2-pyridin-2-ylethenyl)phenyl]cyclohexanecarboxamide (PubChem CID 135344271) has the molecular formula C35H37N3O and a molecular weight of 515.70 g/mol. Its IUPAC name is N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-(2-pyridin-2-ylethenyl)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-(2-pyridin-2-ylethenyl)phenyl]cyclohexanecarboxamide
PubChem CID135344271
Molecular FormulaC35H37N3O
Molecular Weight515.70 g/mol
Exact Mass515.29
IUPAC NameN-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-(2-pyridin-2-ylethenyl)phenyl]cyclohexanecarboxamide
SMILESCN(C)c1ccc(-c2ccc(CN(C(=O)C3CCCCC3)c3cccc(C=Cc4ccccn4)c3)cc2)cc1
InChIInChI=1S/C35H37N3O/c1-37(2)33-22-19-30(20-23-33)29-17-14-28(15-18-29)26-38(35(39)31-10-4-3-5-11-31)34-13-8-9-27(25-34)16-21-32-12-6-7-24-36-32/h6-9,12-25,31H,3-5,10-11,26H2,1-2H3
InChIKeyWQSMVAVHDWABTP-UHFFFAOYSA-N
XLogP8.10
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.70
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-(2-pyridin-2-ylethenyl)phenyl]cyclohexanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-[(E)-3-oxoprop-1-enyl]phenyl]cyclohexanecarboxamide;methoxymethane
CID 144922429
(E)-3-[3-[cyclohexanecarbonyl-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]amino]phenyl]prop-2-enoic acid;N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-[(E)-3-oxopent-1-enyl]phenyl]cyclohexanecarboxamide
CID 158927064
3-[4-[cyclohexanecarbonyl-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]amino]-2-pyridinyl]prop-2-enoic acid
CID 126696212
2-(dimethylamino)ethyl (E)-3-[3-[cyclohexanecarbonyl-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]amino]phenyl]prop-2-enoate
CID 135310315
N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-[methyl(propyl)amino]phenyl]cyclohexanecarboxamide
CID 145278184
2-[3-[cyclohexanecarbonyl-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]amino]-N-methylanilino]acetic acid
CID 126696420
methyl (E)-3-[3-[cyclohexanecarbonyl-[[4-[4-(hydroxymethyl)phenyl]phenyl]methyl]amino]phenyl]prop-2-enoate
CID 126717139
(E)-3-[3-[[4-[4-(dimethylamino)phenyl]phenyl]methyl-[4-(hydroxymethylidene)cyclohexanecarbonyl]amino]phenyl]prop-2-enoic acid
CID 145278110
methyl (E)-3-[3-[cyclohexanecarbonyl-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]amino]phenyl]but-2-enoate
CID 126717096
methyl (E)-3-[3-[[4-(4-chlorophenyl)phenyl]methyl-(cyclohexanecarbonyl)amino]phenyl]prop-2-enoate
CID 126717157
methyl (E)-3-[3-[(4-aminocyclohexanecarbonyl)-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]amino]phenyl]prop-2-enoate
CID 135310506
methyl (E)-3-[3-[[4-[4-(dimethylamino)phenyl]phenyl]methyl-(4-oxocyclohexanecarbonyl)amino]phenyl]prop-2-enoate
CID 126717027

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-(2-pyridin-2-ylethenyl)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-(2-pyridin-2-ylethenyl)phenyl]cyclohexanecarboxamide (CID 135344271) is N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-(2-pyridin-2-ylethenyl)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-(2-pyridin-2-ylethenyl)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-(2-pyridin-2-ylethenyl)phenyl]cyclohexanecarboxamide is CN(C)c1ccc(-c2ccc(CN(C(=O)C3CCCCC3)c3cccc(C=Cc4ccccn4)c3)cc2)cc1.
What is the InChIKey of N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-(2-pyridin-2-ylethenyl)phenyl]cyclohexanecarboxamide?
The InChIKey is WQSMVAVHDWABTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37N3O/c1-37(2)33-22-19-30(20-23-33)29-17-14-28(15-18-29)26-38(35(39)31-10-4-3-5-11-31)34-13-8-9-27(25-34)16-21-32-12-6-7-24-36-32/h6-9,12-25,31H,3-5,10-11,26H2,1-2H3.
What are the key properties of N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-(2-pyridin-2-ylethenyl)phenyl]cyclohexanecarboxamide?
N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-(2-pyridin-2-ylethenyl)phenyl]cyclohexanecarboxamide has a molecular weight of 515.70 g/mol, XLogP of 8.10, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-(2-pyridin-2-ylethenyl)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 135344271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).