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

C11H11NO4 — CID 86593207

IUPACN-formyl-N-[2-(2-methoxyphenyl)-2-oxoethyl]formamide
SMILESCOc1ccccc1C(=O)CN(C=O)C=O
InChIInChI=1S/C11H11NO4/c1-16-11-5-3-2-4-9(11)10(15)6-12(7-13)8-14/h2-5,7-8H,6H2,1H3
InChIKeyMOANUJWDSMESIA-UHFFFAOYSA-N
MW221.21 g/mol
LogP0.49
Rot. Bonds6

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

N-formyl-N-[2-(2-methoxyphenyl)-2-oxoethyl]formamide (PubChem CID 86593207) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is N-formyl-N-[2-(2-methoxyphenyl)-2-oxoethyl]formamide.

Molecular Properties

Compound NameN-formyl-N-[2-(2-methoxyphenyl)-2-oxoethyl]formamide
PubChem CID86593207
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC NameN-formyl-N-[2-(2-methoxyphenyl)-2-oxoethyl]formamide
SMILESCOc1ccccc1C(=O)CN(C=O)C=O
InChIInChI=1S/C11H11NO4/c1-16-11-5-3-2-4-9(11)10(15)6-12(7-13)8-14/h2-5,7-8H,6H2,1H3
InChIKeyMOANUJWDSMESIA-UHFFFAOYSA-N
XLogP0.49
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
N-formyl-N-[2-(2-oxaldehydoylphenyl)-2-oxoethyl]formamide
CID 91482793
2-fluoro-1-(2-methoxyphenyl)ethanone
CID 11816076
2-[cyclopropyl(ethyl)amino]-1-(2-methoxyphenyl)ethanone
CID 43794992
2-[1-hydroxypropan-2-yl(methyl)amino]-1-(2-methoxyphenyl)ethanone
CID 104552748
4,4-difluoro-1-(2-methoxyphenyl)but-3-en-1-one
CID 102156316
2-[2-ethoxyethyl(methyl)amino]-1-(2-methoxyphenyl)ethanone
CID 81058182
[2-(2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 7811189
2-[3-hydroxypropyl(propan-2-yl)amino]-1-(2-methoxyphenyl)ethanone
CID 62030923
1-(2-methoxyphenyl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 62052794
2-[[2-(2-methoxyphenyl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 60681671
2-[(4-tert-butylphenyl)methyl-methylamino]-1-(2-methoxyphenyl)ethanone
CID 18333896

Frequently Asked Questions

What is the IUPAC name of N-formyl-N-[2-(2-methoxyphenyl)-2-oxoethyl]formamide?
The IUPAC name of N-formyl-N-[2-(2-methoxyphenyl)-2-oxoethyl]formamide (CID 86593207) is N-formyl-N-[2-(2-methoxyphenyl)-2-oxoethyl]formamide.
What is the SMILES notation for N-formyl-N-[2-(2-methoxyphenyl)-2-oxoethyl]formamide?
The canonical SMILES for N-formyl-N-[2-(2-methoxyphenyl)-2-oxoethyl]formamide is COc1ccccc1C(=O)CN(C=O)C=O.
What is the InChIKey of N-formyl-N-[2-(2-methoxyphenyl)-2-oxoethyl]formamide?
The InChIKey is MOANUJWDSMESIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c1-16-11-5-3-2-4-9(11)10(15)6-12(7-13)8-14/h2-5,7-8H,6H2,1H3.
What are the key properties of N-formyl-N-[2-(2-methoxyphenyl)-2-oxoethyl]formamide?
N-formyl-N-[2-(2-methoxyphenyl)-2-oxoethyl]formamide has a molecular weight of 221.21 g/mol, XLogP of 0.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-N-[2-(2-methoxyphenyl)-2-oxoethyl]formamide is sourced from PubChem (CID 86593207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).