N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide

C12H15NO3 — CID 110478240

IUPACN-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide
SMILESCOc1cccc(CCNC(=O)C(C)=O)c1
InChIInChI=1S/C12H15NO3/c1-9(14)12(15)13-7-6-10-4-3-5-11(8-10)16-2/h3-5,8H,6-7H2,1-2H3,(H,13,15)
InChIKeyQCQZRUFYYUFNCR-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.94
Rot. Bonds5

About N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide

N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide (PubChem CID 110478240) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide
PubChem CID110478240
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide
SMILESCOc1cccc(CCNC(=O)C(C)=O)c1
InChIInChI=1S/C12H15NO3/c1-9(14)12(15)13-7-6-10-4-3-5-11(8-10)16-2/h3-5,8H,6-7H2,1-2H3,(H,13,15)
InChIKeyQCQZRUFYYUFNCR-UHFFFAOYSA-N
XLogP0.94
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-[2-(3-methoxyphenyl)ethylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 107846613
N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]oxamide
CID 108985428
N-[2-(3-methoxyphenyl)ethyl]-N'-phenyloxamide
CID 44892117
N-[2-(3-methoxyphenyl)ethyl]-N'-prop-2-enyloxamide
CID 44995985
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22690352
N'-(2,6-difluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxamide
CID 108985510
2-chloro-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 103881563
N-[2-[2-(3-methoxyphenyl)ethylamino]ethyl]acetamide
CID 107852146
phenyl N-[2-(3-methoxyphenyl)ethyl]carbamate
CID 110755565
2-bromo-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 107906044
2-(azepan-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-oxoacetamide
CID 108985455

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide (CID 110478240) is N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide is COc1cccc(CCNC(=O)C(C)=O)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide?
The InChIKey is QCQZRUFYYUFNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-9(14)12(15)13-7-6-10-4-3-5-11(8-10)16-2/h3-5,8H,6-7H2,1-2H3,(H,13,15).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide?
N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide has a molecular weight of 221.26 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide is sourced from PubChem (CID 110478240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).