N-[2-(3-methoxyphenyl)-2-oxoethyl]formamide

C10H11NO3 — CID 87584613

IUPACN-[2-(3-methoxyphenyl)-2-oxoethyl]formamide
SMILESCOc1cccc(C(=O)CNC=O)c1
InChIInChI=1S/C10H11NO3/c1-14-9-4-2-3-8(5-9)10(13)6-11-7-12/h2-5,7H,6H2,1H3,(H,11,12)
InChIKeyWWBCUNRJSDUAAS-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.62
Rot. Bonds5

About N-[2-(3-methoxyphenyl)-2-oxoethyl]formamide

N-[2-(3-methoxyphenyl)-2-oxoethyl]formamide (PubChem CID 87584613) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)-2-oxoethyl]formamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)-2-oxoethyl]formamide
PubChem CID87584613
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC NameN-[2-(3-methoxyphenyl)-2-oxoethyl]formamide
SMILESCOc1cccc(C(=O)CNC=O)c1
InChIInChI=1S/C10H11NO3/c1-14-9-4-2-3-8(5-9)10(13)6-11-7-12/h2-5,7H,6H2,1H3,(H,11,12)
InChIKeyWWBCUNRJSDUAAS-UHFFFAOYSA-N
XLogP0.62
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylamino)-1-(3-methoxyphenyl)ethanone
CID 82101988
1-(3-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 116588593
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
2-(tert-butylamino)-1-(3-methoxyphenyl)ethanone;methanesulfonic acid
CID 3062444
N-[2-(3-methoxyphenyl)-2-oxoethyl]benzenesulfonamide
CID 94317245
2-ethylsulfonyl-1-(3-methoxyphenyl)ethanone
CID 64643903
1-(3-methoxyphenyl)-3-pyridin-3-ylpropane-1,3-dione
CID 43321352
1-(3-methoxyphenyl)-3-pyrimidin-2-ylpropane-1,3-dione
CID 114552675
4-fluoro-1-(3-methoxyphenyl)butan-1-one
CID 135043866
3-hydroxy-3-iodo-1-(3-methoxyphenyl)propan-1-one
CID 134358093
3-amino-1-(3-methoxyphenyl)-3-methylbutan-1-one
CID 116581079

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)-2-oxoethyl]formamide?
The IUPAC name of N-[2-(3-methoxyphenyl)-2-oxoethyl]formamide (CID 87584613) is N-[2-(3-methoxyphenyl)-2-oxoethyl]formamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)-2-oxoethyl]formamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)-2-oxoethyl]formamide is COc1cccc(C(=O)CNC=O)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)-2-oxoethyl]formamide?
The InChIKey is WWBCUNRJSDUAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-14-9-4-2-3-8(5-9)10(13)6-11-7-12/h2-5,7H,6H2,1H3,(H,11,12).
What are the key properties of N-[2-(3-methoxyphenyl)-2-oxoethyl]formamide?
N-[2-(3-methoxyphenyl)-2-oxoethyl]formamide has a molecular weight of 193.20 g/mol, XLogP of 0.62, 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)-2-oxoethyl]formamide is sourced from PubChem (CID 87584613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).