2-ethoxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]acetamide

C15H21NO3 — CID 60636038

IUPAC2-ethoxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]acetamide
SMILESC=CCOc1ccc(CN(C)C(=O)COCC)cc1
InChIInChI=1S/C15H21NO3/c1-4-10-19-14-8-6-13(7-9-14)11-16(3)15(17)12-18-5-2/h4,6-9H,1,5,10-12H2,2-3H3
InChIKeyPKAKBJZMWQMHIZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.25
Rot. Bonds8

About 2-ethoxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]acetamide

2-ethoxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]acetamide (PubChem CID 60636038) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-ethoxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]acetamide
PubChem CID60636038
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-ethoxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]acetamide
SMILESC=CCOc1ccc(CN(C)C(=O)COCC)cc1
InChIInChI=1S/C15H21NO3/c1-4-10-19-14-8-6-13(7-9-14)11-16(3)15(17)12-18-5-2/h4,6-9H,1,5,10-12H2,2-3H3
InChIKeyPKAKBJZMWQMHIZ-UHFFFAOYSA-N
XLogP2.25
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propanamide
CID 54868947
2-amino-N,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]butanamide
CID 79805127
2-hydroxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide
CID 31180128
N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9417538
(2S)-2-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]hexanamide
CID 103830978
N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 78762371
N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 9417539
3-(4-ethoxyphenyl)-1-methyl-1-[(4-prop-2-enoxyphenyl)methyl]thiourea
CID 8682661
2-methyl-N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-oxoethyl]furan-3-carboxamide
CID 51085765
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]acetamide
CID 9417568
2,4-dichloro-N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 9417489
3-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrazine-2-carboxamide
CID 46577740

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]acetamide?
The IUPAC name of 2-ethoxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]acetamide (CID 60636038) is 2-ethoxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-ethoxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]acetamide is C=CCOc1ccc(CN(C)C(=O)COCC)cc1.
What is the InChIKey of 2-ethoxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]acetamide?
The InChIKey is PKAKBJZMWQMHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-10-19-14-8-6-13(7-9-14)11-16(3)15(17)12-18-5-2/h4,6-9H,1,5,10-12H2,2-3H3.
What are the key properties of 2-ethoxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]acetamide?
2-ethoxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]acetamide has a molecular weight of 263.34 g/mol, XLogP of 2.25, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]acetamide is sourced from PubChem (CID 60636038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).