3-(3-ethoxy-4-methoxyphenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide

C21H26N2O4 — CID 55742340

IUPAC3-(3-ethoxy-4-methoxyphenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide
SMILESCCOc1cc(C=CC(=O)NCc2cccnc2OC(C)C)ccc1OC
InChIInChI=1S/C21H26N2O4/c1-5-26-19-13-16(8-10-18(19)25-4)9-11-20(24)23-14-17-7-6-12-22-21(17)27-15(2)3/h6-13,15H,5,14H2,1-4H3,(H,23,24)
InChIKeyRZSCIASBMWRNLQ-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.61
Rot. Bonds9

About 3-(3-ethoxy-4-methoxyphenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide

3-(3-ethoxy-4-methoxyphenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide (PubChem CID 55742340) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-(3-ethoxy-4-methoxyphenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name3-(3-ethoxy-4-methoxyphenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide
PubChem CID55742340
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name3-(3-ethoxy-4-methoxyphenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide
SMILESCCOc1cc(C=CC(=O)NCc2cccnc2OC(C)C)ccc1OC
InChIInChI=1S/C21H26N2O4/c1-5-26-19-13-16(8-10-18(19)25-4)9-11-20(24)23-14-17-7-6-12-22-21(17)27-15(2)3/h6-13,15H,5,14H2,1-4H3,(H,23,24)
InChIKeyRZSCIASBMWRNLQ-UHFFFAOYSA-N
XLogP3.61
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(3-ethoxy-4-methoxyphenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)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

N-[(2-ethoxy-3-pyridinyl)methyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
CID 91944153
(E)-3-(2,5-dimethoxyphenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide
CID 94178991
N-[(2-methoxyphenyl)methyl]-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 74509472
(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[(2,3-dimethoxyphenyl)methyl]prop-2-enamide
CID 55594874
(E)-N-[(3,4-dimethoxyphenyl)methyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 9241050
(E)-3-(3,4-diethoxyphenyl)-N-[(2-methylphenyl)methyl]prop-2-enamide
CID 9103990
(E)-3-(3-ethoxy-4-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 55338622
(E)-3-(3,4-diethoxyphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 30878649
3-(3-ethoxy-4-methoxyphenyl)-N-(1-pyridin-4-ylethyl)prop-2-enamide
CID 78775696
(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 31305879
(E)-N-(2-aminopropyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 82354203
(E)-3-(3,4-dimethoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]prop-2-enamide
CID 43911045

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxy-4-methoxyphenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide?
The IUPAC name of 3-(3-ethoxy-4-methoxyphenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide (CID 55742340) is 3-(3-ethoxy-4-methoxyphenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide.
What is the SMILES notation for 3-(3-ethoxy-4-methoxyphenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide?
The canonical SMILES for 3-(3-ethoxy-4-methoxyphenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide is CCOc1cc(C=CC(=O)NCc2cccnc2OC(C)C)ccc1OC.
What is the InChIKey of 3-(3-ethoxy-4-methoxyphenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide?
The InChIKey is RZSCIASBMWRNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-5-26-19-13-16(8-10-18(19)25-4)9-11-20(24)23-14-17-7-6-12-22-21(17)27-15(2)3/h6-13,15H,5,14H2,1-4H3,(H,23,24).
What are the key properties of 3-(3-ethoxy-4-methoxyphenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide?
3-(3-ethoxy-4-methoxyphenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide has a molecular weight of 370.45 g/mol, XLogP of 3.61, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxy-4-methoxyphenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide is sourced from PubChem (CID 55742340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).