N-tert-butyl-4-(2,4-dimethylphenyl)-4-oxobutanamide

C16H23NO2 — CID 94273837

IUPACN-tert-butyl-4-(2,4-dimethylphenyl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)NC(C)(C)C)c(C)c1
InChIInChI=1S/C16H23NO2/c1-11-6-7-13(12(2)10-11)14(18)8-9-15(19)17-16(3,4)5/h6-7,10H,8-9H2,1-5H3,(H,17,19)
InChIKeyKZTUHRCVRMPEGY-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.18
Rot. Bonds4

About N-tert-butyl-4-(2,4-dimethylphenyl)-4-oxobutanamide

N-tert-butyl-4-(2,4-dimethylphenyl)-4-oxobutanamide (PubChem CID 94273837) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-tert-butyl-4-(2,4-dimethylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-tert-butyl-4-(2,4-dimethylphenyl)-4-oxobutanamide
PubChem CID94273837
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-tert-butyl-4-(2,4-dimethylphenyl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)NC(C)(C)C)c(C)c1
InChIInChI=1S/C16H23NO2/c1-11-6-7-13(12(2)10-11)14(18)8-9-15(19)17-16(3,4)5/h6-7,10H,8-9H2,1-5H3,(H,17,19)
InChIKeyKZTUHRCVRMPEGY-UHFFFAOYSA-N
XLogP3.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)butane-1,3-dione
CID 19917258
1-tert-butyl-3-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]thiourea
CID 9425632
4-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)-4-oxobutanamide
CID 94324381
1-(2,4-dimethylphenyl)-4-hydroxybutan-1-one
CID 82111942
1-(2,4-dimethylphenyl)-3,4,4-trimethylpentan-1-one
CID 55262245
3-(2,4-dimethylphenyl)-N-methyl-3-oxopropanethioamide
CID 142659824
4-(4-aminophenyl)-N-tert-butyl-4-oxobutanamide
CID 94267745
1-(2,4-dimethylphenyl)-2-(4-methylanilino)ethanone
CID 82119914
N-tert-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 965412
4-(2-methoxy-5-methylphenyl)-4-oxo-N-(2,4,4-trimethylpentan-2-yl)butanamide
CID 108796059
N-(2-amino-2-methylpropyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide
CID 119628325
N-tert-butyl-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142055

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(2,4-dimethylphenyl)-4-oxobutanamide?
The IUPAC name of N-tert-butyl-4-(2,4-dimethylphenyl)-4-oxobutanamide (CID 94273837) is N-tert-butyl-4-(2,4-dimethylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-tert-butyl-4-(2,4-dimethylphenyl)-4-oxobutanamide?
The canonical SMILES for N-tert-butyl-4-(2,4-dimethylphenyl)-4-oxobutanamide is Cc1ccc(C(=O)CCC(=O)NC(C)(C)C)c(C)c1.
What is the InChIKey of N-tert-butyl-4-(2,4-dimethylphenyl)-4-oxobutanamide?
The InChIKey is KZTUHRCVRMPEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11-6-7-13(12(2)10-11)14(18)8-9-15(19)17-16(3,4)5/h6-7,10H,8-9H2,1-5H3,(H,17,19).
What are the key properties of N-tert-butyl-4-(2,4-dimethylphenyl)-4-oxobutanamide?
N-tert-butyl-4-(2,4-dimethylphenyl)-4-oxobutanamide has a molecular weight of 261.37 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(2,4-dimethylphenyl)-4-oxobutanamide is sourced from PubChem (CID 94273837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).