N-[2-(3-methoxyphenyl)ethyl]-N'-prop-2-enyloxamide

C14H18N2O3 — CID 44995985

IUPACN-[2-(3-methoxyphenyl)ethyl]-N'-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NCCc1cccc(OC)c1
InChIInChI=1S/C14H18N2O3/c1-3-8-15-13(17)14(18)16-9-7-11-5-4-6-12(10-11)19-2/h3-6,10H,1,7-9H2,2H3,(H,15,17)(H,16,18)
InChIKeyJKYWQDOOYQWXDZ-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.66
Rot. Bonds6

About N-[2-(3-methoxyphenyl)ethyl]-N'-prop-2-enyloxamide

N-[2-(3-methoxyphenyl)ethyl]-N'-prop-2-enyloxamide (PubChem CID 44995985) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-N'-prop-2-enyloxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-N'-prop-2-enyloxamide
PubChem CID44995985
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-N'-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NCCc1cccc(OC)c1
InChIInChI=1S/C14H18N2O3/c1-3-8-15-13(17)14(18)16-9-7-11-5-4-6-12(10-11)19-2/h3-6,10H,1,7-9H2,2H3,(H,15,17)(H,16,18)
InChIKeyJKYWQDOOYQWXDZ-UHFFFAOYSA-N
XLogP0.66
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide
CID 110478240
N-[2-(3-methoxyphenyl)ethyl]-N'-phenyloxamide
CID 44892117
N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]oxamide
CID 108985428
(Z)-4-[2-(3-methoxyphenyl)ethylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 107846613
N'-(2,6-difluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxamide
CID 108985510
5-[2-(3-methoxyphenyl)ethylamino]-N-prop-2-enylpyridine-2-carboxamide
CID 109180271
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
N'-[(3-methoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 2244283
2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22690352
2-[acetyl(prop-2-enyl)amino]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113158522
1-[3-(3-methoxyphenyl)propyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide
CID 110982420
2-chloro-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 103881563

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-N'-prop-2-enyloxamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-N'-prop-2-enyloxamide (CID 44995985) is N-[2-(3-methoxyphenyl)ethyl]-N'-prop-2-enyloxamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-N'-prop-2-enyloxamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-N'-prop-2-enyloxamide is C=CCNC(=O)C(=O)NCCc1cccc(OC)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-N'-prop-2-enyloxamide?
The InChIKey is JKYWQDOOYQWXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-3-8-15-13(17)14(18)16-9-7-11-5-4-6-12(10-11)19-2/h3-6,10H,1,7-9H2,2H3,(H,15,17)(H,16,18).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-N'-prop-2-enyloxamide?
N-[2-(3-methoxyphenyl)ethyl]-N'-prop-2-enyloxamide has a molecular weight of 262.31 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-N'-prop-2-enyloxamide is sourced from PubChem (CID 44995985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).