N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(prop-2-enylamino)acetamide

C15H22N2O3 — CID 79285372

IUPACN-[1-(2,4-dimethoxyphenyl)ethyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NC(C)c1ccc(OC)cc1OC
InChIInChI=1S/C15H22N2O3/c1-5-8-16-10-15(18)17-11(2)13-7-6-12(19-3)9-14(13)20-4/h5-7,9,11,16H,1,8,10H2,2-4H3,(H,17,18)
InChIKeyFLUVRSRPOIAEAD-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.66
Rot. Bonds8

About N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(prop-2-enylamino)acetamide

N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(prop-2-enylamino)acetamide (PubChem CID 79285372) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethoxyphenyl)ethyl]-2-(prop-2-enylamino)acetamide
PubChem CID79285372
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[1-(2,4-dimethoxyphenyl)ethyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NC(C)c1ccc(OC)cc1OC
InChIInChI=1S/C15H22N2O3/c1-5-8-16-10-15(18)17-11(2)13-7-6-12(19-3)9-14(13)20-4/h5-7,9,11,16H,1,8,10H2,2-4H3,(H,17,18)
InChIKeyFLUVRSRPOIAEAD-UHFFFAOYSA-N
XLogP1.66
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(prop-2-ynylamino)acetamide
CID 79286643
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-(prop-2-enylamino)acetamide
CID 81363876
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide
CID 4163313
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 134053765
2-(3,4-dichlorophenyl)-N-[1-(2,4-dimethoxyphenyl)ethyl]acetamide
CID 55580869
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 134053548
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 78870898
1-(2,5-dimethoxyphenyl)-2-(prop-2-enylamino)ethanone
CID 82102263
1-butan-2-yl-3-[1-(2,4-dimethoxyphenyl)ethyl]urea
CID 47216355
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 78912543
N-[(1R)-1-(2-methylphenyl)ethyl]-2-(prop-2-enylamino)acetamide
CID 81379898
(2R)-2-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide
CID 79011400

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(prop-2-enylamino)acetamide (CID 79285372) is N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)NC(C)c1ccc(OC)cc1OC.
What is the InChIKey of N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(prop-2-enylamino)acetamide?
The InChIKey is FLUVRSRPOIAEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-5-8-16-10-15(18)17-11(2)13-7-6-12(19-3)9-14(13)20-4/h5-7,9,11,16H,1,8,10H2,2-4H3,(H,17,18).
What are the key properties of N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(prop-2-enylamino)acetamide?
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(prop-2-enylamino)acetamide has a molecular weight of 278.35 g/mol, XLogP of 1.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 79285372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).