N-[2-(3,4-dimethylphenyl)-2-oxoethyl]pentanamide

C15H21NO2 — CID 94266976

IUPACN-[2-(3,4-dimethylphenyl)-2-oxoethyl]pentanamide
SMILESCCCCC(=O)NCC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C15H21NO2/c1-4-5-6-15(18)16-10-14(17)13-8-7-11(2)12(3)9-13/h7-9H,4-6,10H2,1-3H3,(H,16,18)
InChIKeyJTLFHCBWBWTAMS-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.79
Rot. Bonds6

About N-[2-(3,4-dimethylphenyl)-2-oxoethyl]pentanamide

N-[2-(3,4-dimethylphenyl)-2-oxoethyl]pentanamide (PubChem CID 94266976) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[2-(3,4-dimethylphenyl)-2-oxoethyl]pentanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethylphenyl)-2-oxoethyl]pentanamide
PubChem CID94266976
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-[2-(3,4-dimethylphenyl)-2-oxoethyl]pentanamide
SMILESCCCCC(=O)NCC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C15H21NO2/c1-4-5-6-15(18)16-10-14(17)13-8-7-11(2)12(3)9-13/h7-9H,4-6,10H2,1-3H3,(H,16,18)
InChIKeyJTLFHCBWBWTAMS-UHFFFAOYSA-N
XLogP2.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-dimethylphenyl)-N-ethyl-4-oxobutanamide
CID 94261400
1-(3,4-dimethylphenyl)tetradecan-1-one
CID 146006499
1-(3,4-dimethylphenyl)undecan-1-one
CID 114968936
1-(3,4-dimethylphenyl)-2-(ethylamino)ethanone
CID 82101255
N-[2-(butanoylamino)ethyl]-3,4-dimethylbenzamide
CID 108574738
N-[2-(4-hydroxy-3-methylphenyl)-2-oxoethyl]-3-sulfanylpropanamide
CID 167044687
N-(2-aminoethyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 108796690
N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]pentanamide
CID 108540679
N-hexyl-3,4-dimethylbenzamide
CID 4523484
11-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]undecanoic acid
CID 108796694
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]pentanamide
CID 112997994
2-(tert-butylamino)-1-(3,4-dimethylphenyl)ethanone
CID 82101251

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethylphenyl)-2-oxoethyl]pentanamide?
The IUPAC name of N-[2-(3,4-dimethylphenyl)-2-oxoethyl]pentanamide (CID 94266976) is N-[2-(3,4-dimethylphenyl)-2-oxoethyl]pentanamide.
What is the SMILES notation for N-[2-(3,4-dimethylphenyl)-2-oxoethyl]pentanamide?
The canonical SMILES for N-[2-(3,4-dimethylphenyl)-2-oxoethyl]pentanamide is CCCCC(=O)NCC(=O)c1ccc(C)c(C)c1.
What is the InChIKey of N-[2-(3,4-dimethylphenyl)-2-oxoethyl]pentanamide?
The InChIKey is JTLFHCBWBWTAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-4-5-6-15(18)16-10-14(17)13-8-7-11(2)12(3)9-13/h7-9H,4-6,10H2,1-3H3,(H,16,18).
What are the key properties of N-[2-(3,4-dimethylphenyl)-2-oxoethyl]pentanamide?
N-[2-(3,4-dimethylphenyl)-2-oxoethyl]pentanamide has a molecular weight of 247.34 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-(3,4-dimethylphenyl)-2-oxoethyl]pentanamide is sourced from PubChem (CID 94266976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).