N-[2,3,4,5-tetramethyl-6-(pentanoylamino)phenyl]pentanamide

C20H32N2O2 — CID 101068763

IUPACN-[2,3,4,5-tetramethyl-6-(pentanoylamino)phenyl]pentanamide
SMILESCCCCC(=O)Nc1c(C)c(C)c(C)c(C)c1NC(=O)CCCC
InChIInChI=1S/C20H32N2O2/c1-7-9-11-17(23)21-19-15(5)13(3)14(4)16(6)20(19)22-18(24)12-10-8-2/h7-12H2,1-6H3,(H,21,23)(H,22,24)
InChIKeyTWILEKJNTZWDOB-UHFFFAOYSA-N
MW332.49 g/mol
LogP5.18
Rot. Bonds8

About N-[2,3,4,5-tetramethyl-6-(pentanoylamino)phenyl]pentanamide

N-[2,3,4,5-tetramethyl-6-(pentanoylamino)phenyl]pentanamide (PubChem CID 101068763) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N-[2,3,4,5-tetramethyl-6-(pentanoylamino)phenyl]pentanamide.

Molecular Properties

Compound NameN-[2,3,4,5-tetramethyl-6-(pentanoylamino)phenyl]pentanamide
PubChem CID101068763
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC NameN-[2,3,4,5-tetramethyl-6-(pentanoylamino)phenyl]pentanamide
SMILESCCCCC(=O)Nc1c(C)c(C)c(C)c(C)c1NC(=O)CCCC
InChIInChI=1S/C20H32N2O2/c1-7-9-11-17(23)21-19-15(5)13(3)14(4)16(6)20(19)22-18(24)12-10-8-2/h7-12H2,1-6H3,(H,21,23)(H,22,24)
InChIKeyTWILEKJNTZWDOB-UHFFFAOYSA-N
XLogP5.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.49
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(decanoylamino)-3,4,5,6-tetramethylphenyl]decanamide
CID 101068768
N-[2,3,5,6-tetramethyl-4-(undecanoylamino)phenyl]undecanamide
CID 100965559
N-(2,5-dihydroxy-3,4,6-trimethylphenyl)undecanamide
CID 19788212
N-(2,3,4,5,6-pentamethylphenyl)propanamide
CID 58731539
N-(2,6-dichloro-3-methyl-4-sulfamoylphenyl)pentanamide
CID 43246587
N-(2,6-dimethylphenyl)tetradecanamide
CID 54789598
N-(2,3,4,5,6-pentafluorophenyl)undecanamide
CID 3554716
N-(4-methylphenyl)pentanamide
CID 3662375
N-(3-amino-2,6-dimethylphenyl)decanamide
CID 65448531
3,5-dimethyl-4-(pentanoylamino)benzenesulfonyl chloride
CID 18070783
N-(3-hydroxy-2-methylphenyl)pentanamide
CID 64792889
N-(2,5-dihydroxy-3,4-dimethoxy-6-methylphenyl)hexadecanamide
CID 19788185

Frequently Asked Questions

What is the IUPAC name of N-[2,3,4,5-tetramethyl-6-(pentanoylamino)phenyl]pentanamide?
The IUPAC name of N-[2,3,4,5-tetramethyl-6-(pentanoylamino)phenyl]pentanamide (CID 101068763) is N-[2,3,4,5-tetramethyl-6-(pentanoylamino)phenyl]pentanamide.
What is the SMILES notation for N-[2,3,4,5-tetramethyl-6-(pentanoylamino)phenyl]pentanamide?
The canonical SMILES for N-[2,3,4,5-tetramethyl-6-(pentanoylamino)phenyl]pentanamide is CCCCC(=O)Nc1c(C)c(C)c(C)c(C)c1NC(=O)CCCC.
What is the InChIKey of N-[2,3,4,5-tetramethyl-6-(pentanoylamino)phenyl]pentanamide?
The InChIKey is TWILEKJNTZWDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-7-9-11-17(23)21-19-15(5)13(3)14(4)16(6)20(19)22-18(24)12-10-8-2/h7-12H2,1-6H3,(H,21,23)(H,22,24).
What are the key properties of N-[2,3,4,5-tetramethyl-6-(pentanoylamino)phenyl]pentanamide?
N-[2,3,4,5-tetramethyl-6-(pentanoylamino)phenyl]pentanamide has a molecular weight of 332.49 g/mol, XLogP of 5.18, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3,4,5-tetramethyl-6-(pentanoylamino)phenyl]pentanamide is sourced from PubChem (CID 101068763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).