N-(4-acetyl-2-tert-butylphenyl)formamide

C13H17NO2 — CID 168654495

IUPACN-(4-acetyl-2-tert-butylphenyl)formamide
SMILESCC(=O)c1ccc(NC=O)c(C(C)(C)C)c1
InChIInChI=1S/C13H17NO2/c1-9(16)10-5-6-12(14-8-15)11(7-10)13(2,3)4/h5-8H,1-4H3,(H,14,15)
InChIKeyMHLBNAYWJIEULD-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.76
Rot. Bonds3

About N-(4-acetyl-2-tert-butylphenyl)formamide

N-(4-acetyl-2-tert-butylphenyl)formamide (PubChem CID 168654495) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-(4-acetyl-2-tert-butylphenyl)formamide.

Molecular Properties

Compound NameN-(4-acetyl-2-tert-butylphenyl)formamide
PubChem CID168654495
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-(4-acetyl-2-tert-butylphenyl)formamide
SMILESCC(=O)c1ccc(NC=O)c(C(C)(C)C)c1
InChIInChI=1S/C13H17NO2/c1-9(16)10-5-6-12(14-8-15)11(7-10)13(2,3)4/h5-8H,1-4H3,(H,14,15)
InChIKeyMHLBNAYWJIEULD-UHFFFAOYSA-N
XLogP2.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-acetyl-2-tert-butylphenyl)formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-tert-butyl-4-formamidobenzoate
CID 168652003
2-(4-acetyl-2-tert-butylanilino)ethene-1,1,2-tricarbonitrile
CID 168607212
N-(4-acetyl-2-methoxyphenyl)formamide
CID 145382079
1-[3-tert-butyl-4-(2,3-dihydroxypropylamino)phenyl]ethanone
CID 168597514
N-(2-tert-butylphenyl)formamide;ethane
CID 143497447
N-(4-tert-butyl-3-formamidophenyl)formamide
CID 71620542
4-formamido-3-hydroxybenzoic acid
CID 56997255
1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone
CID 616296
1-(3,5-ditert-butyl-4-methylphenyl)ethanone
CID 71103075
N-(2-methyl-5-prop-1-en-2-ylphenyl)formamide
CID 143698511
4-borono-3-formamidobenzoic acid
CID 168654201
methyl 4-formamido-3-hydroxybenzoate
CID 91622889

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-2-tert-butylphenyl)formamide?
The IUPAC name of N-(4-acetyl-2-tert-butylphenyl)formamide (CID 168654495) is N-(4-acetyl-2-tert-butylphenyl)formamide.
What is the SMILES notation for N-(4-acetyl-2-tert-butylphenyl)formamide?
The canonical SMILES for N-(4-acetyl-2-tert-butylphenyl)formamide is CC(=O)c1ccc(NC=O)c(C(C)(C)C)c1.
What is the InChIKey of N-(4-acetyl-2-tert-butylphenyl)formamide?
The InChIKey is MHLBNAYWJIEULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9(16)10-5-6-12(14-8-15)11(7-10)13(2,3)4/h5-8H,1-4H3,(H,14,15).
What are the key properties of N-(4-acetyl-2-tert-butylphenyl)formamide?
N-(4-acetyl-2-tert-butylphenyl)formamide has a molecular weight of 219.28 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-2-tert-butylphenyl)formamide is sourced from PubChem (CID 168654495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).