2-[1-(3,4-dimethoxyphenyl)ethylamino]-N-prop-2-enylpropanamide

C16H24N2O3 — CID 61066639

IUPAC2-[1-(3,4-dimethoxyphenyl)ethylamino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NC(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H24N2O3/c1-6-9-17-16(19)12(3)18-11(2)13-7-8-14(20-4)15(10-13)21-5/h6-8,10-12,18H,1,9H2,2-5H3,(H,17,19)
InChIKeyJXQHYWXZUUHXCJ-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.05
Rot. Bonds8

About 2-[1-(3,4-dimethoxyphenyl)ethylamino]-N-prop-2-enylpropanamide

2-[1-(3,4-dimethoxyphenyl)ethylamino]-N-prop-2-enylpropanamide (PubChem CID 61066639) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[1-(3,4-dimethoxyphenyl)ethylamino]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[1-(3,4-dimethoxyphenyl)ethylamino]-N-prop-2-enylpropanamide
PubChem CID61066639
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[1-(3,4-dimethoxyphenyl)ethylamino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NC(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H24N2O3/c1-6-9-17-16(19)12(3)18-11(2)13-7-8-14(20-4)15(10-13)21-5/h6-8,10-12,18H,1,9H2,2-5H3,(H,17,19)
InChIKeyJXQHYWXZUUHXCJ-UHFFFAOYSA-N
XLogP2.05
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-N-prop-2-enylpropanamide
CID 81387842
1-[1-(3,4-dimethoxyphenyl)ethyl]-3-prop-2-enylthiourea
CID 19675678
2-[1-(3,4-dimethoxyphenyl)ethylamino]propanoic acid
CID 54959912
2-[1-(3,4-dimethoxyphenyl)propylamino]-N-ethylpropanamide
CID 43574152
2-(3,4-dimethoxyphenyl)sulfanyl-N-prop-2-enylpropanamide
CID 43885751
methyl (2S)-2-[1-(3,4-dimethoxyphenyl)ethylamino]-3-methylbutanoate
CID 43452132
2-(3-chloro-4-methoxyanilino)-N-prop-2-enylpropanamide
CID 43087357
2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-prop-2-enylacetamide
CID 63364462
methyl 2-[1-(3,4-dimethoxyphenyl)ethylamino]butanoate
CID 115353213
2-(2-methoxy-4-propan-2-ylphenyl)-N-prop-2-enylacetamide
CID 110769385
2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-tert-butylpropanamide
CID 115574026
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide
CID 17329435

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dimethoxyphenyl)ethylamino]-N-prop-2-enylpropanamide?
The IUPAC name of 2-[1-(3,4-dimethoxyphenyl)ethylamino]-N-prop-2-enylpropanamide (CID 61066639) is 2-[1-(3,4-dimethoxyphenyl)ethylamino]-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[1-(3,4-dimethoxyphenyl)ethylamino]-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[1-(3,4-dimethoxyphenyl)ethylamino]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)NC(C)c1ccc(OC)c(OC)c1.
What is the InChIKey of 2-[1-(3,4-dimethoxyphenyl)ethylamino]-N-prop-2-enylpropanamide?
The InChIKey is JXQHYWXZUUHXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-6-9-17-16(19)12(3)18-11(2)13-7-8-14(20-4)15(10-13)21-5/h6-8,10-12,18H,1,9H2,2-5H3,(H,17,19).
What are the key properties of 2-[1-(3,4-dimethoxyphenyl)ethylamino]-N-prop-2-enylpropanamide?
2-[1-(3,4-dimethoxyphenyl)ethylamino]-N-prop-2-enylpropanamide has a molecular weight of 292.38 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dimethoxyphenyl)ethylamino]-N-prop-2-enylpropanamide is sourced from PubChem (CID 61066639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).