2-(3-ethylphenyl)-N-formylacetamide

C11H13NO2 — CID 130010349

IUPAC2-(3-ethylphenyl)-N-formylacetamide
SMILESCCc1cccc(CC(=O)NC=O)c1
InChIInChI=1S/C11H13NO2/c1-2-9-4-3-5-10(6-9)7-11(14)12-8-13/h3-6,8H,2,7H2,1H3,(H,12,13,14)
InChIKeyRVCYXPCJQZBFQZ-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.06
Rot. Bonds4

About 2-(3-ethylphenyl)-N-formylacetamide

2-(3-ethylphenyl)-N-formylacetamide (PubChem CID 130010349) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-(3-ethylphenyl)-N-formylacetamide.

Molecular Properties

Compound Name2-(3-ethylphenyl)-N-formylacetamide
PubChem CID130010349
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-(3-ethylphenyl)-N-formylacetamide
SMILESCCc1cccc(CC(=O)NC=O)c1
InChIInChI=1S/C11H13NO2/c1-2-9-4-3-5-10(6-9)7-11(14)12-8-13/h3-6,8H,2,7H2,1H3,(H,12,13,14)
InChIKeyRVCYXPCJQZBFQZ-UHFFFAOYSA-N
XLogP1.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-ethylphenyl)methyl]ethanamine
CID 79003665
2-(3-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 123188980
tert-butyl 2-(3-ethylphenyl)acetate
CID 71064752
5-(3-ethylphenyl)-4-oxopentanamide
CID 90850314
2-(3-ethylphenyl)-N-methoxy-N-methylacetamide
CID 87253905
1-(4-aminophenyl)-2-(3-ethylphenyl)ethanone
CID 145137621
(3-ethylphenyl)methylurea
CID 70298508
N-[(3-ethylphenyl)methyl]-3-methylbutanamide
CID 70824104
2-[4-(aminomethyl)phenyl]-N-(3-ethylphenyl)acetamide
CID 63589585
2-chloro-N-(3-ethylphenyl)acetamide
CID 2384588
3-ethyl-N-methylbenzamide
CID 59115297
2-(3-iodophenyl)-N-methylacetamide
CID 130614224

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylphenyl)-N-formylacetamide?
The IUPAC name of 2-(3-ethylphenyl)-N-formylacetamide (CID 130010349) is 2-(3-ethylphenyl)-N-formylacetamide.
What is the SMILES notation for 2-(3-ethylphenyl)-N-formylacetamide?
The canonical SMILES for 2-(3-ethylphenyl)-N-formylacetamide is CCc1cccc(CC(=O)NC=O)c1.
What is the InChIKey of 2-(3-ethylphenyl)-N-formylacetamide?
The InChIKey is RVCYXPCJQZBFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-2-9-4-3-5-10(6-9)7-11(14)12-8-13/h3-6,8H,2,7H2,1H3,(H,12,13,14).
What are the key properties of 2-(3-ethylphenyl)-N-formylacetamide?
2-(3-ethylphenyl)-N-formylacetamide has a molecular weight of 191.23 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylphenyl)-N-formylacetamide is sourced from PubChem (CID 130010349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).