N-(2-formylphenyl)-2-methylpropanamide

C11H13NO2 — CID 54327705

IUPACN-(2-formylphenyl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccccc1C=O
InChIInChI=1S/C11H13NO2/c1-8(2)11(14)12-10-6-4-3-5-9(10)7-13/h3-8H,1-2H3,(H,12,14)
InChIKeyWBTOUHCBIHWLTP-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.09
Rot. Bonds3

About N-(2-formylphenyl)-2-methylpropanamide

N-(2-formylphenyl)-2-methylpropanamide (PubChem CID 54327705) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is N-(2-formylphenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-formylphenyl)-2-methylpropanamide
PubChem CID54327705
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC NameN-(2-formylphenyl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccccc1C=O
InChIInChI=1S/C11H13NO2/c1-8(2)11(14)12-10-6-4-3-5-9(10)7-13/h3-8H,1-2H3,(H,12,14)
InChIKeyWBTOUHCBIHWLTP-UHFFFAOYSA-N
XLogP2.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.09
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

ethane;N-(2-formylphenyl)acetamide
CID 142055624
N-(2-formylphenyl)-2-methylprop-2-enamide
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tert-butyl N-(2-formylphenyl)carbamate;tert-butyl N-[2-(hydroxymethyl)phenyl]carbamate
CID 160681330
2-chloro-N-(2-formylphenyl)acetamide
CID 12533349
N-[2-(methanesulfonamido)phenyl]-2-methylpropanamide
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N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide
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2-(2-methylpropanoylamino)-N-propan-2-ylbenzamide
CID 34564562
N-(2-bromo-3-chlorophenyl)-2-methylpropanamide
CID 103479781
N-[2-(2-methoxyethyl)phenyl]-2-methylpropanamide
CID 18982774
N-(3-formyl-4-hydroxyphenyl)-2-methylpropanamide
CID 121216988
(2S)-2-(2-formylphenoxy)-N-(2-phenylphenyl)propanamide
CID 7762821
2-methyl-N-(2-morpholin-4-ylphenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-formylphenyl)-2-methylpropanamide?
The IUPAC name of N-(2-formylphenyl)-2-methylpropanamide (CID 54327705) is N-(2-formylphenyl)-2-methylpropanamide.
What is the SMILES notation for N-(2-formylphenyl)-2-methylpropanamide?
The canonical SMILES for N-(2-formylphenyl)-2-methylpropanamide is CC(C)C(=O)Nc1ccccc1C=O.
What is the InChIKey of N-(2-formylphenyl)-2-methylpropanamide?
The InChIKey is WBTOUHCBIHWLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-8(2)11(14)12-10-6-4-3-5-9(10)7-13/h3-8H,1-2H3,(H,12,14).
What are the key properties of N-(2-formylphenyl)-2-methylpropanamide?
N-(2-formylphenyl)-2-methylpropanamide has a molecular weight of 191.23 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-formylphenyl)-2-methylpropanamide is sourced from PubChem (CID 54327705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).