6-acetamido-N-[(4-methylphenyl)methyl]hexanamide

C16H24N2O2 — CID 112763501

IUPAC6-acetamido-N-[(4-methylphenyl)methyl]hexanamide
SMILESCC(=O)NCCCCCC(=O)NCc1ccc(C)cc1
InChIInChI=1S/C16H24N2O2/c1-13-7-9-15(10-8-13)12-18-16(20)6-4-3-5-11-17-14(2)19/h7-10H,3-6,11-12H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyICLYGNWNZIYSSA-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.31
Rot. Bonds8

About 6-acetamido-N-[(4-methylphenyl)methyl]hexanamide

6-acetamido-N-[(4-methylphenyl)methyl]hexanamide (PubChem CID 112763501) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 6-acetamido-N-[(4-methylphenyl)methyl]hexanamide.

Molecular Properties

Compound Name6-acetamido-N-[(4-methylphenyl)methyl]hexanamide
PubChem CID112763501
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name6-acetamido-N-[(4-methylphenyl)methyl]hexanamide
SMILESCC(=O)NCCCCCC(=O)NCc1ccc(C)cc1
InChIInChI=1S/C16H24N2O2/c1-13-7-9-15(10-8-13)12-18-16(20)6-4-3-5-11-17-14(2)19/h7-10H,3-6,11-12H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyICLYGNWNZIYSSA-UHFFFAOYSA-N
XLogP2.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(carbamoylamino)-N-[(4-methylphenyl)methyl]pentanamide
CID 33239098
N-[(4-methylphenyl)methyl]heptanamide
CID 4159981
N-[(4-methylphenyl)methyl]hexadecanamide
CID 11111158
6-acetamido-N-[[4-(butanoylamino)phenyl]methyl]hexanamide
CID 87018702
2,2-dimethyl-N-[4-[(4-methylphenyl)methylamino]-4-oxobutyl]propanamide
CID 34080191
N-[(4-methylphenyl)methyl]butanamide
CID 835678
N-[(4-methylphenyl)methyl]-4-(propan-2-ylamino)butanamide
CID 60850941
N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide
CID 3350050
N-[(4-methylphenyl)methyl]-3-(pentylamino)propanamide
CID 109019794
N-benzyl-N'-(4-methylphenyl)decanediamide
CID 173311347
6-acetamido-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]hexanamide
CID 47036113
18-hydroxy-N-[[4-[(18-hydroxyoctadecanoylamino)methyl]phenyl]methyl]octadecanamide
CID 101321590

Frequently Asked Questions

What is the IUPAC name of 6-acetamido-N-[(4-methylphenyl)methyl]hexanamide?
The IUPAC name of 6-acetamido-N-[(4-methylphenyl)methyl]hexanamide (CID 112763501) is 6-acetamido-N-[(4-methylphenyl)methyl]hexanamide.
What is the SMILES notation for 6-acetamido-N-[(4-methylphenyl)methyl]hexanamide?
The canonical SMILES for 6-acetamido-N-[(4-methylphenyl)methyl]hexanamide is CC(=O)NCCCCCC(=O)NCc1ccc(C)cc1.
What is the InChIKey of 6-acetamido-N-[(4-methylphenyl)methyl]hexanamide?
The InChIKey is ICLYGNWNZIYSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13-7-9-15(10-8-13)12-18-16(20)6-4-3-5-11-17-14(2)19/h7-10H,3-6,11-12H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 6-acetamido-N-[(4-methylphenyl)methyl]hexanamide?
6-acetamido-N-[(4-methylphenyl)methyl]hexanamide has a molecular weight of 276.38 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-N-[(4-methylphenyl)methyl]hexanamide is sourced from PubChem (CID 112763501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).