N-cyclohexyl-4-[(E)-3-(2,5-dimethoxyphenyl)-3-oxoprop-1-enyl]benzamide

C24H27NO4 — CID 46229079

IUPACN-cyclohexyl-4-[(E)-3-(2,5-dimethoxyphenyl)-3-oxoprop-1-enyl]benzamide
SMILESCOc1ccc(OC)c(C(=O)/C=C/c2ccc(C(=O)NC3CCCCC3)cc2)c1
InChIInChI=1S/C24H27NO4/c1-28-20-13-15-23(29-2)21(16-20)22(26)14-10-17-8-11-18(12-9-17)24(27)25-19-6-4-3-5-7-19/h8-16,19H,3-7H2,1-2H3,(H,25,27)/b14-10+
InChIKeyGLVDQXMMMHVUJI-GXDHUFHOSA-N
MW393.48 g/mol
LogP4.66
Rot. Bonds7

About N-cyclohexyl-4-[(E)-3-(2,5-dimethoxyphenyl)-3-oxoprop-1-enyl]benzamide

N-cyclohexyl-4-[(E)-3-(2,5-dimethoxyphenyl)-3-oxoprop-1-enyl]benzamide (PubChem CID 46229079) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is N-cyclohexyl-4-[(E)-3-(2,5-dimethoxyphenyl)-3-oxoprop-1-enyl]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[(E)-3-(2,5-dimethoxyphenyl)-3-oxoprop-1-enyl]benzamide
PubChem CID46229079
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC NameN-cyclohexyl-4-[(E)-3-(2,5-dimethoxyphenyl)-3-oxoprop-1-enyl]benzamide
SMILESCOc1ccc(OC)c(C(=O)/C=C/c2ccc(C(=O)NC3CCCCC3)cc2)c1
InChIInChI=1S/C24H27NO4/c1-28-20-13-15-23(29-2)21(16-20)22(26)14-10-17-8-11-18(12-9-17)24(27)25-19-6-4-3-5-7-19/h8-16,19H,3-7H2,1-2H3,(H,25,27)/b14-10+
InChIKeyGLVDQXMMMHVUJI-GXDHUFHOSA-N
XLogP4.66
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-cyclohexyl-4-[(E)-3-(2,5-dimethoxyphenyl)-3-oxoprop-1-enyl]benzamide 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

[3-(3-carbamoylphenyl)-4-methoxyphenyl] N-cyclohexylcarbamate
CID 71506769
2-methoxy-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 808577
2-Methoxy-N-(3-methyl-2-phenyl-butyl)-benzamide
CID 44270882
N-(1-Benzylpiperidin-4-yl)-2,3-dimethoxybenzamide
CID 13314232
N,N-Diethyl-4-[(2-methoxy-phenyl)-piperidin-4-ylidene-methyl]-benzamide
CID 10809678
2-ethoxy-N-{2-[(2-ethoxybenzoyl)amino]ethyl}benzamide
CID 1769368
3-methoxy-N-(4-phenylbutan-2-yl)benzamide
CID 2914414
2-Methoxy-N-(phenylmethyl)benzamide
CID 700577
5-(2-hydroxy-5-methoxybenzoyl)-2-oxo-N,1-bis(2-phenylethyl)pyridine-3-carboxamide
CID 2401598
Terephthalamide scaffold, 26
CID 11774143
N-Ethyl-4-{(3-methoxy-phenyl)-[8-(3-methyl-but-2-enyl)-8-aza-bicyclo[3.2.1]oct-3-ylidene]-methyl}-benzamide
CID 44306977
N-cyclohexyl-3-methoxynaphthalene-2-carboxamide
CID 2571368

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[(E)-3-(2,5-dimethoxyphenyl)-3-oxoprop-1-enyl]benzamide?
The IUPAC name of N-cyclohexyl-4-[(E)-3-(2,5-dimethoxyphenyl)-3-oxoprop-1-enyl]benzamide (CID 46229079) is N-cyclohexyl-4-[(E)-3-(2,5-dimethoxyphenyl)-3-oxoprop-1-enyl]benzamide.
What is the SMILES notation for N-cyclohexyl-4-[(E)-3-(2,5-dimethoxyphenyl)-3-oxoprop-1-enyl]benzamide?
The canonical SMILES for N-cyclohexyl-4-[(E)-3-(2,5-dimethoxyphenyl)-3-oxoprop-1-enyl]benzamide is COc1ccc(OC)c(C(=O)/C=C/c2ccc(C(=O)NC3CCCCC3)cc2)c1.
What is the InChIKey of N-cyclohexyl-4-[(E)-3-(2,5-dimethoxyphenyl)-3-oxoprop-1-enyl]benzamide?
The InChIKey is GLVDQXMMMHVUJI-GXDHUFHOSA-N. The full InChI is InChI=1S/C24H27NO4/c1-28-20-13-15-23(29-2)21(16-20)22(26)14-10-17-8-11-18(12-9-17)24(27)25-19-6-4-3-5-7-19/h8-16,19H,3-7H2,1-2H3,(H,25,27)/b14-10+.
What are the key properties of N-cyclohexyl-4-[(E)-3-(2,5-dimethoxyphenyl)-3-oxoprop-1-enyl]benzamide?
N-cyclohexyl-4-[(E)-3-(2,5-dimethoxyphenyl)-3-oxoprop-1-enyl]benzamide has a molecular weight of 393.48 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[(E)-3-(2,5-dimethoxyphenyl)-3-oxoprop-1-enyl]benzamide is sourced from PubChem (CID 46229079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).