N-(2,3,4,5,6-pentamethylphenyl)propanamide

C14H21NO — CID 58731539

IUPACN-(2,3,4,5,6-pentamethylphenyl)propanamide
SMILESCCC(=O)Nc1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C14H21NO/c1-7-13(16)15-14-11(5)9(3)8(2)10(4)12(14)6/h7H2,1-6H3,(H,15,16)
InChIKeyHKCCMDXHKILOAA-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.58
Rot. Bonds2

About N-(2,3,4,5,6-pentamethylphenyl)propanamide

N-(2,3,4,5,6-pentamethylphenyl)propanamide (PubChem CID 58731539) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-(2,3,4,5,6-pentamethylphenyl)propanamide.

Molecular Properties

Compound NameN-(2,3,4,5,6-pentamethylphenyl)propanamide
PubChem CID58731539
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-(2,3,4,5,6-pentamethylphenyl)propanamide
SMILESCCC(=O)Nc1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C14H21NO/c1-7-13(16)15-14-11(5)9(3)8(2)10(4)12(14)6/h7H2,1-6H3,(H,15,16)
InChIKeyHKCCMDXHKILOAA-UHFFFAOYSA-N
XLogP3.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2,3,4,5-tetramethyl-6-(pentanoylamino)phenyl]pentanamide
CID 101068763
N-[2,3,5,6-tetramethyl-4-(undecanoylamino)phenyl]undecanamide
CID 100965559
2,4,6-triiodo-5-(propanoylamino)benzene-1,3-dicarbonyl chloride
CID 58140419
N-(4-fluoro-2,6-dimethylphenyl)propanamide;yttrium
CID 159722509
N-[4-(dimethylamino)-2,6-diethyl-3,5-difluorophenyl]propanamide;N-[4-(dimethylamino)-3,5-difluoro-2,6-dimethylphenyl]propanamide
CID 159410874
N-(2,6-difluoro-3-methylphenyl)propanamide
CID 82820072
N-(2,6-dibromophenyl)propanamide
CID 103863189
N-(6-methyl-2-pyridinyl)propanamide
CID 5057760
N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 38773209
2-hydroxy-N-(2,3,4,5,6-pentamethylphenyl)propanamide
CID 91336330
N-(4-iodo-2,5-dimethylphenyl)propanamide
CID 839810
N-(5-methyl-1,2-oxazol-4-yl)propanamide
CID 13483365

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,5,6-pentamethylphenyl)propanamide?
The IUPAC name of N-(2,3,4,5,6-pentamethylphenyl)propanamide (CID 58731539) is N-(2,3,4,5,6-pentamethylphenyl)propanamide.
What is the SMILES notation for N-(2,3,4,5,6-pentamethylphenyl)propanamide?
The canonical SMILES for N-(2,3,4,5,6-pentamethylphenyl)propanamide is CCC(=O)Nc1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of N-(2,3,4,5,6-pentamethylphenyl)propanamide?
The InChIKey is HKCCMDXHKILOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-7-13(16)15-14-11(5)9(3)8(2)10(4)12(14)6/h7H2,1-6H3,(H,15,16).
What are the key properties of N-(2,3,4,5,6-pentamethylphenyl)propanamide?
N-(2,3,4,5,6-pentamethylphenyl)propanamide has a molecular weight of 219.33 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,5,6-pentamethylphenyl)propanamide is sourced from PubChem (CID 58731539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).