(E)-N-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide

C21H22FNO3 — CID 31748213

IUPAC(E)-N-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)N(Cc2ccc(F)cc2)C2CC2)cc1OC
InChIInChI=1S/C21H22FNO3/c1-25-19-11-5-15(13-20(19)26-2)6-12-21(24)23(18-9-10-18)14-16-3-7-17(22)8-4-16/h3-8,11-13,18H,9-10,14H2,1-2H3/b12-6+
InChIKeyNQAKSDOIYZNZSY-WUXMJOGZSA-N
MW355.41 g/mol
LogP4.05
Rot. Bonds7

About (E)-N-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide

(E)-N-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide (PubChem CID 31748213) has the molecular formula C21H22FNO3 and a molecular weight of 355.41 g/mol. Its IUPAC name is (E)-N-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide
PubChem CID31748213
Molecular FormulaC21H22FNO3
Molecular Weight355.41 g/mol
Exact Mass355.16
IUPAC Name(E)-N-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)N(Cc2ccc(F)cc2)C2CC2)cc1OC
InChIInChI=1S/C21H22FNO3/c1-25-19-11-5-15(13-20(19)26-2)6-12-21(24)23(18-9-10-18)14-16-3-7-17(22)8-4-16/h3-8,11-13,18H,9-10,14H2,1-2H3/b12-6+
InChIKeyNQAKSDOIYZNZSY-WUXMJOGZSA-N
XLogP4.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]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

3-(4-ethoxy-3-methoxyphenyl)-N-[(4-fluorophenyl)methyl]-N-methylprop-2-enamide
CID 76856794
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[(4-fluorophenyl)methyl]-N-methylprop-2-enamide
CID 78770386
4-[[[(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide
CID 34179073
3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide
CID 898590
N-cyclopentyl-N-ethyl-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
CID 103597835
(E)-3-(3,4-dimethoxyphenyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]prop-2-enamide
CID 26619354
(E)-N-cyclopropyl-3-(2-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 46588602
4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methoxybenzamide
CID 29304680
(E)-3-(3,4-dimethoxyphenyl)-N-methoxy-N-methylprop-2-enamide
CID 22347490
(E)-3-(4-butoxy-3-methoxyphenyl)-N-cyclopropyl-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 55408748
(E)-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 33080396
(E)-N-benzyl-3-(3,4-dimethoxyphenyl)-N-ethylprop-2-enamide
CID 6057475

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide?
The IUPAC name of (E)-N-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide (CID 31748213) is (E)-N-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-N-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-N-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide is COc1ccc(/C=C/C(=O)N(Cc2ccc(F)cc2)C2CC2)cc1OC.
What is the InChIKey of (E)-N-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide?
The InChIKey is NQAKSDOIYZNZSY-WUXMJOGZSA-N. The full InChI is InChI=1S/C21H22FNO3/c1-25-19-11-5-15(13-20(19)26-2)6-12-21(24)23(18-9-10-18)14-16-3-7-17(22)8-4-16/h3-8,11-13,18H,9-10,14H2,1-2H3/b12-6+.
What are the key properties of (E)-N-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide?
(E)-N-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide has a molecular weight of 355.41 g/mol, XLogP of 4.05, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide is sourced from PubChem (CID 31748213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).