N-(3-acetyl-2-ethylphenyl)formamide

C11H13NO2 — CID 176967298

IUPACN-(3-acetyl-2-ethylphenyl)formamide
SMILESCCc1c(NC=O)cccc1C(C)=O
InChIInChI=1S/C11H13NO2/c1-3-9-10(8(2)14)5-4-6-11(9)12-7-13/h4-7H,3H2,1-2H3,(H,12,13)
InChIKeyFQMDKXXNBAXUBL-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.02
Rot. Bonds4

About N-(3-acetyl-2-ethylphenyl)formamide

N-(3-acetyl-2-ethylphenyl)formamide (PubChem CID 176967298) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is N-(3-acetyl-2-ethylphenyl)formamide.

Molecular Properties

Compound NameN-(3-acetyl-2-ethylphenyl)formamide
PubChem CID176967298
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC NameN-(3-acetyl-2-ethylphenyl)formamide
SMILESCCc1c(NC=O)cccc1C(C)=O
InChIInChI=1S/C11H13NO2/c1-3-9-10(8(2)14)5-4-6-11(9)12-7-13/h4-7H,3H2,1-2H3,(H,12,13)
InChIKeyFQMDKXXNBAXUBL-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
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

3-acetyl-2-ethylbenzonitrile
CID 91208313
N,N-diethyl-2-formamidobenzamide
CID 168652158
3-acetyl-2-hydroxybenzaldehyde
CID 10975813
2-formamido-N,N-dimethylbenzamide
CID 64992505
N-[2-(2-methylprop-1-enyl)phenyl]formamide
CID 89257522
3-formamido-2-methyl-N-(2-methylpropyl)benzamide
CID 168651028
2-ethoxyethyl 2-formamidobenzoate
CID 54536697
ethyl 2-(2-acetylanilino)propanoate
CID 67790607
N-(2,3-diacetylphenyl)propanamide
CID 176967428
8-acetylnaphthalene-1-carbaldehyde
CID 14613312
3-formamido-2-hydroxy-N-(4-phenylphenyl)benzamide
CID 18551363
3-formamido-N-(2-methoxyethyl)-2-methylbenzamide
CID 168654330

Frequently Asked Questions

What is the IUPAC name of N-(3-acetyl-2-ethylphenyl)formamide?
The IUPAC name of N-(3-acetyl-2-ethylphenyl)formamide (CID 176967298) is N-(3-acetyl-2-ethylphenyl)formamide.
What is the SMILES notation for N-(3-acetyl-2-ethylphenyl)formamide?
The canonical SMILES for N-(3-acetyl-2-ethylphenyl)formamide is CCc1c(NC=O)cccc1C(C)=O.
What is the InChIKey of N-(3-acetyl-2-ethylphenyl)formamide?
The InChIKey is FQMDKXXNBAXUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-3-9-10(8(2)14)5-4-6-11(9)12-7-13/h4-7H,3H2,1-2H3,(H,12,13).
What are the key properties of N-(3-acetyl-2-ethylphenyl)formamide?
N-(3-acetyl-2-ethylphenyl)formamide has a molecular weight of 191.23 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetyl-2-ethylphenyl)formamide is sourced from PubChem (CID 176967298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).