4-[[[(E)-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]prop-2-enoyl]amino]methyl]-N,N-dimethylbenzamide

C29H32N2O5 — CID 46541731

IUPAC4-[[[(E)-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]prop-2-enoyl]amino]methyl]-N,N-dimethylbenzamide
SMILESCCOc1cc(/C=C/C(=O)NCc2ccc(C(=O)N(C)C)cc2)ccc1OCCOc1ccccc1
InChIInChI=1S/C29H32N2O5/c1-4-34-27-20-22(12-16-26(27)36-19-18-35-25-8-6-5-7-9-25)13-17-28(32)30-21-23-10-14-24(15-11-23)29(33)31(2)3/h5-17,20H,4,18-19,21H2,1-3H3,(H,30,32)/b17-13+
InChIKeyZMZSRXVGURZGNC-GHRIWEEISA-N
MW488.58 g/mol
LogP4.57
Rot. Bonds12

About 4-[[[(E)-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]prop-2-enoyl]amino]methyl]-N,N-dimethylbenzamide

4-[[[(E)-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]prop-2-enoyl]amino]methyl]-N,N-dimethylbenzamide (PubChem CID 46541731) has the molecular formula C29H32N2O5 and a molecular weight of 488.58 g/mol. Its IUPAC name is 4-[[[(E)-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]prop-2-enoyl]amino]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[[(E)-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]prop-2-enoyl]amino]methyl]-N,N-dimethylbenzamide
PubChem CID46541731
Molecular FormulaC29H32N2O5
Molecular Weight488.58 g/mol
Exact Mass488.23
IUPAC Name4-[[[(E)-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]prop-2-enoyl]amino]methyl]-N,N-dimethylbenzamide
SMILESCCOc1cc(/C=C/C(=O)NCc2ccc(C(=O)N(C)C)cc2)ccc1OCCOc1ccccc1
InChIInChI=1S/C29H32N2O5/c1-4-34-27-20-22(12-16-26(27)36-19-18-35-25-8-6-5-7-9-25)13-17-28(32)30-21-23-10-14-24(15-11-23)29(33)31(2)3/h5-17,20H,4,18-19,21H2,1-3H3,(H,30,32)/b17-13+
InChIKeyZMZSRXVGURZGNC-GHRIWEEISA-N
XLogP4.57
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.58
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[[[(E)-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]prop-2-enoyl]amino]methyl]-N,N-dimethylbenzamide 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

4-[[[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]amino]methyl]-N,N-dimethylbenzamide
CID 134052092
(E)-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]prop-2-enamide
CID 55619607
(E)-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]prop-2-enamide
CID 16625934
3-(4-ethoxy-3-methoxyphenyl)-N-(2-phenoxyethyl)prop-2-enamide
CID 102603120
(E)-N-benzyl-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 8713217
(E)-N-[(3,4-dimethoxyphenyl)methyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 9241050
(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(2-phenoxyethyl)prop-2-enamide
CID 33249438
N-[2-[[(E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide
CID 33317052
(E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 9314599
N-[2-[[(E)-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide
CID 38203835
(E)-3-(3,4-diethoxyphenyl)-N-[(2-methylphenyl)methyl]prop-2-enamide
CID 9103990
(E)-N-[(3-ethoxyphenyl)methyl]-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 98812303

Frequently Asked Questions

What is the IUPAC name of 4-[[[(E)-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]prop-2-enoyl]amino]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[[(E)-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]prop-2-enoyl]amino]methyl]-N,N-dimethylbenzamide (CID 46541731) is 4-[[[(E)-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]prop-2-enoyl]amino]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[[(E)-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]prop-2-enoyl]amino]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[[(E)-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]prop-2-enoyl]amino]methyl]-N,N-dimethylbenzamide is CCOc1cc(/C=C/C(=O)NCc2ccc(C(=O)N(C)C)cc2)ccc1OCCOc1ccccc1.
What is the InChIKey of 4-[[[(E)-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]prop-2-enoyl]amino]methyl]-N,N-dimethylbenzamide?
The InChIKey is ZMZSRXVGURZGNC-GHRIWEEISA-N. The full InChI is InChI=1S/C29H32N2O5/c1-4-34-27-20-22(12-16-26(27)36-19-18-35-25-8-6-5-7-9-25)13-17-28(32)30-21-23-10-14-24(15-11-23)29(33)31(2)3/h5-17,20H,4,18-19,21H2,1-3H3,(H,30,32)/b17-13+.
What are the key properties of 4-[[[(E)-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]prop-2-enoyl]amino]methyl]-N,N-dimethylbenzamide?
4-[[[(E)-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]prop-2-enoyl]amino]methyl]-N,N-dimethylbenzamide has a molecular weight of 488.58 g/mol, XLogP of 4.57, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(E)-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]prop-2-enoyl]amino]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 46541731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).