N,N-diethyl-3-[[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]amino]benzamide

C24H28N2O4 — CID 31287568

IUPACN,N-diethyl-3-[[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]amino]benzamide
SMILESC=CCOc1ccc(/C=C/C(=O)Nc2cccc(C(=O)N(CC)CC)c2)cc1OC
InChIInChI=1S/C24H28N2O4/c1-5-15-30-21-13-11-18(16-22(21)29-4)12-14-23(27)25-20-10-8-9-19(17-20)24(28)26(6-2)7-3/h5,8-14,16-17H,1,6-7,15H2,2-4H3,(H,25,27)/b14-12+
InChIKeyQZNADVBQAZNLSI-WYMLVPIESA-N
MW408.50 g/mol
LogP4.39
Rot. Bonds10

About N,N-diethyl-3-[[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]amino]benzamide

N,N-diethyl-3-[[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]amino]benzamide (PubChem CID 31287568) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is N,N-diethyl-3-[[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-3-[[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]amino]benzamide
PubChem CID31287568
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC NameN,N-diethyl-3-[[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]amino]benzamide
SMILESC=CCOc1ccc(/C=C/C(=O)Nc2cccc(C(=O)N(CC)CC)c2)cc1OC
InChIInChI=1S/C24H28N2O4/c1-5-15-30-21-13-11-18(16-22(21)29-4)12-14-23(27)25-20-10-8-9-19(17-20)24(28)26(6-2)7-3/h5,8-14,16-17H,1,6-7,15H2,2-4H3,(H,25,27)/b14-12+
InChIKeyQZNADVBQAZNLSI-WYMLVPIESA-N
XLogP4.39
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N-diethyl-3-[[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]amino]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

N,N-diethyl-3-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]benzamide
CID 26712530
(E)-N-(3-acetamidophenyl)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide
CID 26103193
(E)-N-(3-methoxyphenyl)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide
CID 26914384
3-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide
CID 32849699
N,N-diethyl-3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]benzamide
CID 26712685
(E)-N-(3,5-dimethoxyphenyl)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide
CID 9096622
3-[[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]amino]benzamide
CID 51152920
methyl 2-[[4-[[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]amino]benzoyl]amino]acetate
CID 34073243
propyl 3-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]benzoate
CID 3431507
(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-(4-methylsulfonylphenyl)prop-2-enamide
CID 18081064
3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-N-(2-methoxyethyl)benzamide
CID 17218973
(E)-N-[4-(2-methoxyethoxy)phenyl]-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide
CID 46461482

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]amino]benzamide?
The IUPAC name of N,N-diethyl-3-[[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]amino]benzamide (CID 31287568) is N,N-diethyl-3-[[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-3-[[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-3-[[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]amino]benzamide is C=CCOc1ccc(/C=C/C(=O)Nc2cccc(C(=O)N(CC)CC)c2)cc1OC.
What is the InChIKey of N,N-diethyl-3-[[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]amino]benzamide?
The InChIKey is QZNADVBQAZNLSI-WYMLVPIESA-N. The full InChI is InChI=1S/C24H28N2O4/c1-5-15-30-21-13-11-18(16-22(21)29-4)12-14-23(27)25-20-10-8-9-19(17-20)24(28)26(6-2)7-3/h5,8-14,16-17H,1,6-7,15H2,2-4H3,(H,25,27)/b14-12+.
What are the key properties of N,N-diethyl-3-[[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]amino]benzamide?
N,N-diethyl-3-[[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]amino]benzamide has a molecular weight of 408.50 g/mol, XLogP of 4.39, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]amino]benzamide is sourced from PubChem (CID 31287568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).