N-[2-oxo-2-(prop-2-enylamino)ethyl]-3-phenoxypropanamide

C14H18N2O3 — CID 112990545

IUPACN-[2-oxo-2-(prop-2-enylamino)ethyl]-3-phenoxypropanamide
SMILESC=CCNC(=O)CNC(=O)CCOc1ccccc1
InChIInChI=1S/C14H18N2O3/c1-2-9-15-14(18)11-16-13(17)8-10-19-12-6-4-3-5-7-12/h2-7H,1,8-11H2,(H,15,18)(H,16,17)
InChIKeyVGXUXIHRFRNRNI-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.87
Rot. Bonds8

About N-[2-oxo-2-(prop-2-enylamino)ethyl]-3-phenoxypropanamide

N-[2-oxo-2-(prop-2-enylamino)ethyl]-3-phenoxypropanamide (PubChem CID 112990545) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[2-oxo-2-(prop-2-enylamino)ethyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-oxo-2-(prop-2-enylamino)ethyl]-3-phenoxypropanamide
PubChem CID112990545
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-[2-oxo-2-(prop-2-enylamino)ethyl]-3-phenoxypropanamide
SMILESC=CCNC(=O)CNC(=O)CCOc1ccccc1
InChIInChI=1S/C14H18N2O3/c1-2-9-15-14(18)11-16-13(17)8-10-19-12-6-4-3-5-7-12/h2-7H,1,8-11H2,(H,15,18)(H,16,17)
InChIKeyVGXUXIHRFRNRNI-UHFFFAOYSA-N
XLogP0.87
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-phenoxyacetyl)amino]-N-prop-2-enylacetamide
CID 2094904
N-[2-oxo-2-(prop-2-enylamino)ethyl]-2-phenylacetamide
CID 9442349
N-[2-(4-chloroanilino)-2-oxoethyl]-3-phenoxypropanamide
CID 112997910
prop-2-enyl N-[2-(3-phenoxypropanoylamino)ethyl]carbamate
CID 108573558
3-(2-methoxyphenoxy)-N-prop-2-enylpropanamide
CID 17034572
N-[2-oxo-2-(1-phenylethylamino)ethyl]-3-phenoxypropanamide
CID 112992328
N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-3-phenoxypropanamide
CID 112993396
1-(phenoxymethyl)-3-prop-2-enylurea
CID 108888930
N-[2-(2-hydroxyethoxy)ethyl]-3-phenoxypropanamide
CID 60654485
2-[[2-[3-(4-methylphenoxy)propanoylamino]acetyl]amino]acetic acid
CID 43387562
2-(2-phenoxyanilino)-N-prop-2-enylacetamide
CID 108992999
4-(4-propan-2-ylphenoxy)-N-prop-2-enylbutanamide
CID 19207254

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(prop-2-enylamino)ethyl]-3-phenoxypropanamide?
The IUPAC name of N-[2-oxo-2-(prop-2-enylamino)ethyl]-3-phenoxypropanamide (CID 112990545) is N-[2-oxo-2-(prop-2-enylamino)ethyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-oxo-2-(prop-2-enylamino)ethyl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-oxo-2-(prop-2-enylamino)ethyl]-3-phenoxypropanamide is C=CCNC(=O)CNC(=O)CCOc1ccccc1.
What is the InChIKey of N-[2-oxo-2-(prop-2-enylamino)ethyl]-3-phenoxypropanamide?
The InChIKey is VGXUXIHRFRNRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-2-9-15-14(18)11-16-13(17)8-10-19-12-6-4-3-5-7-12/h2-7H,1,8-11H2,(H,15,18)(H,16,17).
What are the key properties of N-[2-oxo-2-(prop-2-enylamino)ethyl]-3-phenoxypropanamide?
N-[2-oxo-2-(prop-2-enylamino)ethyl]-3-phenoxypropanamide has a molecular weight of 262.31 g/mol, XLogP of 0.87, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(prop-2-enylamino)ethyl]-3-phenoxypropanamide is sourced from PubChem (CID 112990545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).