3-(3-ethoxy-4-methoxyphenyl)-N-methoxy-N-methylprop-2-enamide

C14H19NO4 — CID 102603194

IUPAC3-(3-ethoxy-4-methoxyphenyl)-N-methoxy-N-methylprop-2-enamide
SMILESCCOc1cc(C=CC(=O)N(C)OC)ccc1OC
InChIInChI=1S/C14H19NO4/c1-5-19-13-10-11(6-8-12(13)17-3)7-9-14(16)15(2)18-4/h6-10H,5H2,1-4H3
InChIKeyQAKYLWXNHOVRKK-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.13
Rot. Bonds6

About 3-(3-ethoxy-4-methoxyphenyl)-N-methoxy-N-methylprop-2-enamide

3-(3-ethoxy-4-methoxyphenyl)-N-methoxy-N-methylprop-2-enamide (PubChem CID 102603194) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-(3-ethoxy-4-methoxyphenyl)-N-methoxy-N-methylprop-2-enamide.

Molecular Properties

Compound Name3-(3-ethoxy-4-methoxyphenyl)-N-methoxy-N-methylprop-2-enamide
PubChem CID102603194
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name3-(3-ethoxy-4-methoxyphenyl)-N-methoxy-N-methylprop-2-enamide
SMILESCCOc1cc(C=CC(=O)N(C)OC)ccc1OC
InChIInChI=1S/C14H19NO4/c1-5-19-13-10-11(6-8-12(13)17-3)7-9-14(16)15(2)18-4/h6-10H,5H2,1-4H3
InChIKeyQAKYLWXNHOVRKK-UHFFFAOYSA-N
XLogP2.13
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-diethoxyphenyl)-N-methoxy-N-methylprop-2-enamide
CID 102603198
(E)-3-(3,4-dimethoxyphenyl)-N-methoxy-N-methylprop-2-enamide
CID 22347490
(Z)-N,N-bis(2-cyanoethyl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 97435242
(E)-3-(3-ethoxy-4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylprop-2-enamide
CID 30798112
(E)-3-(3-ethoxy-4-methoxyphenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]prop-2-enamide
CID 9493413
3-(4-ethoxy-3-methoxyphenyl)-N,N-bis(2-methylpropyl)prop-2-enamide
CID 719513
3-(3,4-diethoxyphenyl)prop-2-enamide
CID 75266278
N-benzyl-3-(4-ethoxy-3-methoxyphenyl)-N-methylprop-2-enamide
CID 719551
(E)-N-[4-(dimethylamino)phenyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 78776552
3-(4-ethoxy-3-methoxyphenyl)-N-[(4-fluorophenyl)methyl]-N-methylprop-2-enamide
CID 76856794
(E)-3-(3,4-diethoxyphenyl)-N-ethyl-N-(2-methylprop-2-enyl)prop-2-enamide
CID 60592337
(E)-N-(1,3-benzothiazol-2-ylmethyl)-3-(3-ethoxy-4-methoxyphenyl)-N-methylprop-2-enamide
CID 9392392

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxy-4-methoxyphenyl)-N-methoxy-N-methylprop-2-enamide?
The IUPAC name of 3-(3-ethoxy-4-methoxyphenyl)-N-methoxy-N-methylprop-2-enamide (CID 102603194) is 3-(3-ethoxy-4-methoxyphenyl)-N-methoxy-N-methylprop-2-enamide.
What is the SMILES notation for 3-(3-ethoxy-4-methoxyphenyl)-N-methoxy-N-methylprop-2-enamide?
The canonical SMILES for 3-(3-ethoxy-4-methoxyphenyl)-N-methoxy-N-methylprop-2-enamide is CCOc1cc(C=CC(=O)N(C)OC)ccc1OC.
What is the InChIKey of 3-(3-ethoxy-4-methoxyphenyl)-N-methoxy-N-methylprop-2-enamide?
The InChIKey is QAKYLWXNHOVRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-5-19-13-10-11(6-8-12(13)17-3)7-9-14(16)15(2)18-4/h6-10H,5H2,1-4H3.
What are the key properties of 3-(3-ethoxy-4-methoxyphenyl)-N-methoxy-N-methylprop-2-enamide?
3-(3-ethoxy-4-methoxyphenyl)-N-methoxy-N-methylprop-2-enamide has a molecular weight of 265.31 g/mol, XLogP of 2.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxy-4-methoxyphenyl)-N-methoxy-N-methylprop-2-enamide is sourced from PubChem (CID 102603194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).