(E)-3-(2,5-dimethoxyphenyl)-N-(3-methoxypropyl)prop-2-enamide

C15H21NO4 — CID 35742707

IUPAC(E)-3-(2,5-dimethoxyphenyl)-N-(3-methoxypropyl)prop-2-enamide
SMILESCOCCCNC(=O)/C=C/c1cc(OC)ccc1OC
InChIInChI=1S/C15H21NO4/c1-18-10-4-9-16-15(17)8-5-12-11-13(19-2)6-7-14(12)20-3/h5-8,11H,4,9-10H2,1-3H3,(H,16,17)/b8-5+
InChIKeyCGCCINZZCPUTGE-VMPITWQZSA-N
MW279.34 g/mol
LogP1.87
Rot. Bonds8

About (E)-3-(2,5-dimethoxyphenyl)-N-(3-methoxypropyl)prop-2-enamide

(E)-3-(2,5-dimethoxyphenyl)-N-(3-methoxypropyl)prop-2-enamide (PubChem CID 35742707) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is (E)-3-(2,5-dimethoxyphenyl)-N-(3-methoxypropyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,5-dimethoxyphenyl)-N-(3-methoxypropyl)prop-2-enamide
PubChem CID35742707
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name(E)-3-(2,5-dimethoxyphenyl)-N-(3-methoxypropyl)prop-2-enamide
SMILESCOCCCNC(=O)/C=C/c1cc(OC)ccc1OC
InChIInChI=1S/C15H21NO4/c1-18-10-4-9-16-15(17)8-5-12-11-13(19-2)6-7-14(12)20-3/h5-8,11H,4,9-10H2,1-3H3,(H,16,17)/b8-5+
InChIKeyCGCCINZZCPUTGE-VMPITWQZSA-N
XLogP1.87
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(3-methoxypropyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 126388548
(E)-3-(2,5-dimethoxyphenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 47099182
(E)-3-(2,5-dimethoxyphenyl)-N-(2-pyridin-4-ylethyl)prop-2-enamide
CID 51058064
(E)-3-(2,5-dimethoxyphenyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]prop-2-enamide
CID 55744442
3-(2,5-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 732638
N,3-bis(2,5-dimethoxyphenyl)prop-2-enamide
CID 732464
(E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 42991733
(E)-3-(2-methoxy-5-methylphenyl)-N-[2-(3-methylphenoxy)ethyl]prop-2-enamide
CID 9224174
(E)-3-(5-bromo-2-methoxyphenyl)-N-(5-hydroxypentyl)prop-2-enamide
CID 107318684
(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]-N-(3-methoxypropyl)prop-2-enamide
CID 51204733
(E)-3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 1178359
(E)-3-(5-bromo-2-methoxyphenyl)-N-[2-(2-methoxyphenoxy)ethyl]prop-2-enamide
CID 26555434

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,5-dimethoxyphenyl)-N-(3-methoxypropyl)prop-2-enamide?
The IUPAC name of (E)-3-(2,5-dimethoxyphenyl)-N-(3-methoxypropyl)prop-2-enamide (CID 35742707) is (E)-3-(2,5-dimethoxyphenyl)-N-(3-methoxypropyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2,5-dimethoxyphenyl)-N-(3-methoxypropyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2,5-dimethoxyphenyl)-N-(3-methoxypropyl)prop-2-enamide is COCCCNC(=O)/C=C/c1cc(OC)ccc1OC.
What is the InChIKey of (E)-3-(2,5-dimethoxyphenyl)-N-(3-methoxypropyl)prop-2-enamide?
The InChIKey is CGCCINZZCPUTGE-VMPITWQZSA-N. The full InChI is InChI=1S/C15H21NO4/c1-18-10-4-9-16-15(17)8-5-12-11-13(19-2)6-7-14(12)20-3/h5-8,11H,4,9-10H2,1-3H3,(H,16,17)/b8-5+.
What are the key properties of (E)-3-(2,5-dimethoxyphenyl)-N-(3-methoxypropyl)prop-2-enamide?
(E)-3-(2,5-dimethoxyphenyl)-N-(3-methoxypropyl)prop-2-enamide has a molecular weight of 279.34 g/mol, XLogP of 1.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,5-dimethoxyphenyl)-N-(3-methoxypropyl)prop-2-enamide is sourced from PubChem (CID 35742707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).