(E)-N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

C23H26N2O4 — CID 90552155

IUPAC(E)-N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)NCC#Cc2ccccc2N(C)C)cc(OC)c1OC
InChIInChI=1S/C23H26N2O4/c1-25(2)19-11-7-6-9-18(19)10-8-14-24-22(26)13-12-17-15-20(27-3)23(29-5)21(16-17)28-4/h6-7,9,11-13,15-16H,14H2,1-5H3,(H,24,26)/b13-12+
InChIKeyUPBYNCXWLSUDBS-OUKQBFOZSA-N
MW394.47 g/mol
LogP2.96
Rot. Bonds7

About (E)-N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

(E)-N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 90552155) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is (E)-N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID90552155
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name(E)-N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)NCC#Cc2ccccc2N(C)C)cc(OC)c1OC
InChIInChI=1S/C23H26N2O4/c1-25(2)19-11-7-6-9-18(19)10-8-14-24-22(26)13-12-17-15-20(27-3)23(29-5)21(16-17)28-4/h6-7,9,11-13,15-16H,14H2,1-5H3,(H,24,26)/b13-12+
InChIKeyUPBYNCXWLSUDBS-OUKQBFOZSA-N
XLogP2.96
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide 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-(cyanomethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 3488907
(E)-N-[2-(N-methylanilino)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 24560393
(E)-N-(2-methylpropyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 7762009
(E)-N-but-3-ynyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 90537887
(E)-3-(3,4,5-trimethoxyphenyl)-N-[2-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359894
(E)-N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 95983427
(E)-N'-(2-phenylacetyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide
CID 24637532
N-(1,3-benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 2826371
(E)-3-(3,4,5-trimethoxyphenyl)-N-[4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359711
N-decyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 75211078
(E)-N-benzhydryl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 1186267
3-phenyl-N-[3-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359677

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (CID 90552155) is (E)-N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is COc1cc(/C=C/C(=O)NCC#Cc2ccccc2N(C)C)cc(OC)c1OC.
What is the InChIKey of (E)-N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is UPBYNCXWLSUDBS-OUKQBFOZSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-25(2)19-11-7-6-9-18(19)10-8-14-24-22(26)13-12-17-15-20(27-3)23(29-5)21(16-17)28-4/h6-7,9,11-13,15-16H,14H2,1-5H3,(H,24,26)/b13-12+.
What are the key properties of (E)-N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
(E)-N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 394.47 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 90552155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).