N-methyl-N-(2-methyl-5-propan-2-ylphenyl)-4-oxopentanamide

C16H23NO2 — CID 115176806

IUPACN-methyl-N-(2-methyl-5-propan-2-ylphenyl)-4-oxopentanamide
SMILESCC(=O)CCC(=O)N(C)c1cc(C(C)C)ccc1C
InChIInChI=1S/C16H23NO2/c1-11(2)14-8-6-12(3)15(10-14)17(5)16(19)9-7-13(4)18/h6,8,10-11H,7,9H2,1-5H3
InChIKeyJUDPLNITNJGVPM-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.45
Rot. Bonds5

About N-methyl-N-(2-methyl-5-propan-2-ylphenyl)-4-oxopentanamide

N-methyl-N-(2-methyl-5-propan-2-ylphenyl)-4-oxopentanamide (PubChem CID 115176806) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is N-methyl-N-(2-methyl-5-propan-2-ylphenyl)-4-oxopentanamide.

Molecular Properties

Compound NameN-methyl-N-(2-methyl-5-propan-2-ylphenyl)-4-oxopentanamide
PubChem CID115176806
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC NameN-methyl-N-(2-methyl-5-propan-2-ylphenyl)-4-oxopentanamide
SMILESCC(=O)CCC(=O)N(C)c1cc(C(C)C)ccc1C
InChIInChI=1S/C16H23NO2/c1-11(2)14-8-6-12(3)15(10-14)17(5)16(19)9-7-13(4)18/h6,8,10-11H,7,9H2,1-5H3
InChIKeyJUDPLNITNJGVPM-UHFFFAOYSA-N
XLogP3.45
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)acetamide
CID 115161925
3-amino-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)butanamide
CID 115154101
3-amino-N,2-dimethyl-N-(2-methyl-5-propan-2-ylphenyl)propanamide
CID 115153583
3-amino-2-hydroxy-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)propanamide
CID 115180425
2-amino-3-hydroxy-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)propanamide
CID 115179748
N-methyl-4-oxo-N-(2,4,6-trimethylphenyl)pentanamide
CID 115176780
N-(chloromethyl)-N,2-dimethyl-5-propan-2-ylaniline
CID 115262883
N-(2,5-dimethylphenyl)-N-methyl-3-sulfanylpropanamide
CID 115167704
5-(2-methyl-5-propan-2-ylanilino)pentan-2-one
CID 115236245
N-(5-bromo-2-methylphenyl)-3-hydroxy-N-methylpropanamide
CID 115138927
4-amino-N-(2,5-dimethylphenyl)-N,4-dimethylpentanamide
CID 115157531
4-[(2-methyl-5-propan-2-ylphenyl)methoxy]butan-2-one
CID 170366215

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methyl-5-propan-2-ylphenyl)-4-oxopentanamide?
The IUPAC name of N-methyl-N-(2-methyl-5-propan-2-ylphenyl)-4-oxopentanamide (CID 115176806) is N-methyl-N-(2-methyl-5-propan-2-ylphenyl)-4-oxopentanamide.
What is the SMILES notation for N-methyl-N-(2-methyl-5-propan-2-ylphenyl)-4-oxopentanamide?
The canonical SMILES for N-methyl-N-(2-methyl-5-propan-2-ylphenyl)-4-oxopentanamide is CC(=O)CCC(=O)N(C)c1cc(C(C)C)ccc1C.
What is the InChIKey of N-methyl-N-(2-methyl-5-propan-2-ylphenyl)-4-oxopentanamide?
The InChIKey is JUDPLNITNJGVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11(2)14-8-6-12(3)15(10-14)17(5)16(19)9-7-13(4)18/h6,8,10-11H,7,9H2,1-5H3.
What are the key properties of N-methyl-N-(2-methyl-5-propan-2-ylphenyl)-4-oxopentanamide?
N-methyl-N-(2-methyl-5-propan-2-ylphenyl)-4-oxopentanamide has a molecular weight of 261.36 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methyl-5-propan-2-ylphenyl)-4-oxopentanamide is sourced from PubChem (CID 115176806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).