4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-N-ethyl-N-naphthalen-1-ylbenzamide

C30H28N2O4 — CID 26168850

IUPAC4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-N-ethyl-N-naphthalen-1-ylbenzamide
SMILESCCN(C(=O)c1ccc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1)c1cccc2ccccc12
InChIInChI=1S/C30H28N2O4/c1-4-32(26-11-7-9-22-8-5-6-10-25(22)26)30(34)23-14-16-24(17-15-23)31-29(33)19-13-21-12-18-27(35-2)28(20-21)36-3/h5-20H,4H2,1-3H3,(H,31,33)/b19-13+
InChIKeyTULXFCDGDMALDB-CPNJWEJPSA-N
MW480.56 g/mol
LogP6.18
Rot. Bonds8

About 4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-N-ethyl-N-naphthalen-1-ylbenzamide

4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-N-ethyl-N-naphthalen-1-ylbenzamide (PubChem CID 26168850) has the molecular formula C30H28N2O4 and a molecular weight of 480.56 g/mol. Its IUPAC name is 4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-N-ethyl-N-naphthalen-1-ylbenzamide.

Molecular Properties

Compound Name4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-N-ethyl-N-naphthalen-1-ylbenzamide
PubChem CID26168850
Molecular FormulaC30H28N2O4
Molecular Weight480.56 g/mol
Exact Mass480.20
IUPAC Name4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-N-ethyl-N-naphthalen-1-ylbenzamide
SMILESCCN(C(=O)c1ccc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1)c1cccc2ccccc12
InChIInChI=1S/C30H28N2O4/c1-4-32(26-11-7-9-22-8-5-6-10-25(22)26)30(34)23-14-16-24(17-15-23)31-29(33)19-13-21-12-18-27(35-2)28(20-21)36-3/h5-20H,4H2,1-3H3,(H,31,33)/b19-13+
InChIKeyTULXFCDGDMALDB-CPNJWEJPSA-N
XLogP6.18
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.56
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-N-ethyl-N-naphthalen-1-ylbenzamide 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-ethyl-4-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-naphthalen-1-ylbenzamide
CID 4940910
N-ethyl-4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N-naphthalen-1-ylbenzamide
CID 6234774
4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-N,N-dipropylbenzamide
CID 17196156
N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3-iodo-4-methoxybenzamide
CID 4940853
4-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]benzamide
CID 719545
3-(3-methoxy-4-propoxyphenyl)-N-naphthalen-2-ylprop-2-enamide
CID 3440540
(E)-N-[4-(diethylsulfamoyl)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 2330150
4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N,N-dimethylbenzamide
CID 17231501
4-benzamido-N-ethyl-N-naphthalen-1-ylbenzamide
CID 4940825
butyl 4-[[(Z)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoate
CID 2165276
3-(3,4-dimethoxyphenyl)-N-[4-(2-methoxyanilino)phenyl]prop-2-enamide
CID 3469016
N-cyclohexyl-4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-N-methylbenzamide
CID 52713130

Frequently Asked Questions

What is the IUPAC name of 4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-N-ethyl-N-naphthalen-1-ylbenzamide?
The IUPAC name of 4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-N-ethyl-N-naphthalen-1-ylbenzamide (CID 26168850) is 4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-N-ethyl-N-naphthalen-1-ylbenzamide.
What is the SMILES notation for 4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-N-ethyl-N-naphthalen-1-ylbenzamide?
The canonical SMILES for 4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-N-ethyl-N-naphthalen-1-ylbenzamide is CCN(C(=O)c1ccc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1)c1cccc2ccccc12.
What is the InChIKey of 4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-N-ethyl-N-naphthalen-1-ylbenzamide?
The InChIKey is TULXFCDGDMALDB-CPNJWEJPSA-N. The full InChI is InChI=1S/C30H28N2O4/c1-4-32(26-11-7-9-22-8-5-6-10-25(22)26)30(34)23-14-16-24(17-15-23)31-29(33)19-13-21-12-18-27(35-2)28(20-21)36-3/h5-20H,4H2,1-3H3,(H,31,33)/b19-13+.
What are the key properties of 4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-N-ethyl-N-naphthalen-1-ylbenzamide?
4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-N-ethyl-N-naphthalen-1-ylbenzamide has a molecular weight of 480.56 g/mol, XLogP of 6.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-N-ethyl-N-naphthalen-1-ylbenzamide is sourced from PubChem (CID 26168850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).