N-[2-(4-butan-2-ylphenyl)-2-methylpropyl]-2-oxoacetamide

C16H23NO2 — CID 115166817

IUPACN-[2-(4-butan-2-ylphenyl)-2-methylpropyl]-2-oxoacetamide
SMILESCCC(C)c1ccc(C(C)(C)CNC(=O)C=O)cc1
InChIInChI=1S/C16H23NO2/c1-5-12(2)13-6-8-14(9-7-13)16(3,4)11-17-15(19)10-18/h6-10,12H,5,11H2,1-4H3,(H,17,19)
InChIKeyCTWWQSNOHJRKDV-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.79
Rot. Bonds6

About N-[2-(4-butan-2-ylphenyl)-2-methylpropyl]-2-oxoacetamide

N-[2-(4-butan-2-ylphenyl)-2-methylpropyl]-2-oxoacetamide (PubChem CID 115166817) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is N-[2-(4-butan-2-ylphenyl)-2-methylpropyl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[2-(4-butan-2-ylphenyl)-2-methylpropyl]-2-oxoacetamide
PubChem CID115166817
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC NameN-[2-(4-butan-2-ylphenyl)-2-methylpropyl]-2-oxoacetamide
SMILESCCC(C)c1ccc(C(C)(C)CNC(=O)C=O)cc1
InChIInChI=1S/C16H23NO2/c1-5-12(2)13-6-8-14(9-7-13)16(3,4)11-17-15(19)10-18/h6-10,12H,5,11H2,1-4H3,(H,17,19)
InChIKeyCTWWQSNOHJRKDV-UHFFFAOYSA-N
XLogP2.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-methyl-2-(4-propan-2-ylphenyl)propyl]urea
CID 115168740
1-butan-2-yl-4-(2-methylbutan-2-yl)benzene
CID 54072029
[2-methyl-2-(4-propan-2-ylphenyl)propyl]carbamic acid
CID 115171362
N-[2-methyl-2-(2-methyl-5-propan-2-ylphenyl)propyl]-2-oxoacetamide
CID 115166849
N-[2-methyl-2-(4-propan-2-ylphenyl)propyl]carbamoyl bromide
CID 115194195
2-(4-butan-2-ylphenyl)-2-methylpropan-1-amine
CID 82077217
1-butan-2-yl-4-tert-butylbenzene;2,2-dimethylbutanoic acid
CID 158163672
4-butan-2-ylbenzohydrazide
CID 83386529
N-[(4-butan-2-ylphenyl)methyl]-2-hydroxy-2-methylpropanamide
CID 115178737
3-(4-butan-2-ylphenyl)-3,3-difluoropropanoic acid
CID 116838338
4-butan-2-yl-N-(2-hydroxyethyl)benzamide
CID 18724737
CID 123774225
CID 123774225

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-butan-2-ylphenyl)-2-methylpropyl]-2-oxoacetamide?
The IUPAC name of N-[2-(4-butan-2-ylphenyl)-2-methylpropyl]-2-oxoacetamide (CID 115166817) is N-[2-(4-butan-2-ylphenyl)-2-methylpropyl]-2-oxoacetamide.
What is the SMILES notation for N-[2-(4-butan-2-ylphenyl)-2-methylpropyl]-2-oxoacetamide?
The canonical SMILES for N-[2-(4-butan-2-ylphenyl)-2-methylpropyl]-2-oxoacetamide is CCC(C)c1ccc(C(C)(C)CNC(=O)C=O)cc1.
What is the InChIKey of N-[2-(4-butan-2-ylphenyl)-2-methylpropyl]-2-oxoacetamide?
The InChIKey is CTWWQSNOHJRKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-5-12(2)13-6-8-14(9-7-13)16(3,4)11-17-15(19)10-18/h6-10,12H,5,11H2,1-4H3,(H,17,19).
What are the key properties of N-[2-(4-butan-2-ylphenyl)-2-methylpropyl]-2-oxoacetamide?
N-[2-(4-butan-2-ylphenyl)-2-methylpropyl]-2-oxoacetamide has a molecular weight of 261.36 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-butan-2-ylphenyl)-2-methylpropyl]-2-oxoacetamide is sourced from PubChem (CID 115166817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).