3-(2-ethoxyphenyl)-N,N-dimethylprop-2-enamide

C13H17NO2 — CID 76872157

IUPAC3-(2-ethoxyphenyl)-N,N-dimethylprop-2-enamide
SMILESCCOc1ccccc1C=CC(=O)N(C)C
InChIInChI=1S/C13H17NO2/c1-4-16-12-8-6-5-7-11(12)9-10-13(15)14(2)3/h5-10H,4H2,1-3H3
InChIKeyHEHVZQQXYOJQGT-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.19
Rot. Bonds4

About 3-(2-ethoxyphenyl)-N,N-dimethylprop-2-enamide

3-(2-ethoxyphenyl)-N,N-dimethylprop-2-enamide (PubChem CID 76872157) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-N,N-dimethylprop-2-enamide.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-N,N-dimethylprop-2-enamide
PubChem CID76872157
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3-(2-ethoxyphenyl)-N,N-dimethylprop-2-enamide
SMILESCCOc1ccccc1C=CC(=O)N(C)C
InChIInChI=1S/C13H17NO2/c1-4-16-12-8-6-5-7-11(12)9-10-13(15)14(2)3/h5-10H,4H2,1-3H3
InChIKeyHEHVZQQXYOJQGT-UHFFFAOYSA-N
XLogP2.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N,N-dimethyl-3-(2-phenylmethoxyphenyl)prop-2-enamide
CID 15255199
(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)prop-2-enamide
CID 9480960
2-[cyclopropyl-[(Z)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]acetic acid
CID 129408081
2-[cyclopropyl-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]acetic acid
CID 60826708
3-(2-ethoxyphenyl)-N-ethylprop-2-enamide
CID 76872072
propan-2-yl 3-(2-ethoxyphenyl)prop-2-enoate
CID 77493840
(E)-3-(2-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one
CID 39369360
(E)-N-[2-(2-chloroanilino)-2-oxoethyl]-3-(2-ethoxyphenyl)-N-methylprop-2-enamide
CID 9409771
[2-(N-methylanilino)-2-oxoethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 7850796
(E)-3-(2-ethoxyphenyl)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]prop-2-enamide
CID 9207458
(4-methylphenyl) (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 19207618
3-(2-ethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 78787127

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-N,N-dimethylprop-2-enamide?
The IUPAC name of 3-(2-ethoxyphenyl)-N,N-dimethylprop-2-enamide (CID 76872157) is 3-(2-ethoxyphenyl)-N,N-dimethylprop-2-enamide.
What is the SMILES notation for 3-(2-ethoxyphenyl)-N,N-dimethylprop-2-enamide?
The canonical SMILES for 3-(2-ethoxyphenyl)-N,N-dimethylprop-2-enamide is CCOc1ccccc1C=CC(=O)N(C)C.
What is the InChIKey of 3-(2-ethoxyphenyl)-N,N-dimethylprop-2-enamide?
The InChIKey is HEHVZQQXYOJQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-4-16-12-8-6-5-7-11(12)9-10-13(15)14(2)3/h5-10H,4H2,1-3H3.
What are the key properties of 3-(2-ethoxyphenyl)-N,N-dimethylprop-2-enamide?
3-(2-ethoxyphenyl)-N,N-dimethylprop-2-enamide has a molecular weight of 219.28 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-N,N-dimethylprop-2-enamide is sourced from PubChem (CID 76872157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).