N-methyl-5-oxo-5-(2,3,5,6-tetramethylphenyl)pentanamide

C16H23NO2 — CID 94273911

IUPACN-methyl-5-oxo-5-(2,3,5,6-tetramethylphenyl)pentanamide
SMILESCNC(=O)CCCC(=O)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C16H23NO2/c1-10-9-11(2)13(4)16(12(10)3)14(18)7-6-8-15(19)17-5/h9H,6-8H2,1-5H3,(H,17,19)
InChIKeyYSSVKJRBYVPNSO-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.02
Rot. Bonds5

About N-methyl-5-oxo-5-(2,3,5,6-tetramethylphenyl)pentanamide

N-methyl-5-oxo-5-(2,3,5,6-tetramethylphenyl)pentanamide (PubChem CID 94273911) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is N-methyl-5-oxo-5-(2,3,5,6-tetramethylphenyl)pentanamide.

Molecular Properties

Compound NameN-methyl-5-oxo-5-(2,3,5,6-tetramethylphenyl)pentanamide
PubChem CID94273911
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC NameN-methyl-5-oxo-5-(2,3,5,6-tetramethylphenyl)pentanamide
SMILESCNC(=O)CCCC(=O)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C16H23NO2/c1-10-9-11(2)13(4)16(12(10)3)14(18)7-6-8-15(19)17-5/h9H,6-8H2,1-5H3,(H,17,19)
InChIKeyYSSVKJRBYVPNSO-UHFFFAOYSA-N
XLogP3.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-1-(2,3,5,6-tetramethylphenyl)propan-1-one
CID 82283322
N-methyl-4-oxo-4-(2,4,6-trimethylphenyl)butanamide
CID 82116197
3-(dimethylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-one
CID 82116294
3-oxo-3-(2,3,5,6-tetramethylphenyl)propanal
CID 82469980
3-(2-methylpropylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-one
CID 94274261
3-(cyclopropylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-one
CID 94266322
ethyl 4-oxo-4-(2,3,5,6-tetramethylphenyl)butanoate
CID 24727732
N,N'-dimethylheptanediamide
CID 15166696
7-(2-hydroxy-3,4,6-trimethylphenyl)-7-oxoheptanoic acid
CID 12906129
10-(2-hydroxy-3,4,6-trimethylphenyl)-10-oxodecanoic acid
CID 12906132
N-methyl-2-(2,3,5,6-tetramethylphenoxy)acetamide
CID 894749
3-[3-(hydroxymethyl)-4,5-dimethylphenyl]-N-methylpropanamide
CID 167668022

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-oxo-5-(2,3,5,6-tetramethylphenyl)pentanamide?
The IUPAC name of N-methyl-5-oxo-5-(2,3,5,6-tetramethylphenyl)pentanamide (CID 94273911) is N-methyl-5-oxo-5-(2,3,5,6-tetramethylphenyl)pentanamide.
What is the SMILES notation for N-methyl-5-oxo-5-(2,3,5,6-tetramethylphenyl)pentanamide?
The canonical SMILES for N-methyl-5-oxo-5-(2,3,5,6-tetramethylphenyl)pentanamide is CNC(=O)CCCC(=O)c1c(C)c(C)cc(C)c1C.
What is the InChIKey of N-methyl-5-oxo-5-(2,3,5,6-tetramethylphenyl)pentanamide?
The InChIKey is YSSVKJRBYVPNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-10-9-11(2)13(4)16(12(10)3)14(18)7-6-8-15(19)17-5/h9H,6-8H2,1-5H3,(H,17,19).
What are the key properties of N-methyl-5-oxo-5-(2,3,5,6-tetramethylphenyl)pentanamide?
N-methyl-5-oxo-5-(2,3,5,6-tetramethylphenyl)pentanamide has a molecular weight of 261.36 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-oxo-5-(2,3,5,6-tetramethylphenyl)pentanamide is sourced from PubChem (CID 94273911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).