6-acetamido-N-[1-[4-(2-methylpropyl)phenyl]ethyl]hexanamide

C20H32N2O2 — CID 112791697

IUPAC6-acetamido-N-[1-[4-(2-methylpropyl)phenyl]ethyl]hexanamide
SMILESCC(=O)NCCCCCC(=O)NC(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C20H32N2O2/c1-15(2)14-18-9-11-19(12-10-18)16(3)22-20(24)8-6-5-7-13-21-17(4)23/h9-12,15-16H,5-8,13-14H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyYBLKVQXTLIJSEN-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.76
Rot. Bonds10

About 6-acetamido-N-[1-[4-(2-methylpropyl)phenyl]ethyl]hexanamide

6-acetamido-N-[1-[4-(2-methylpropyl)phenyl]ethyl]hexanamide (PubChem CID 112791697) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 6-acetamido-N-[1-[4-(2-methylpropyl)phenyl]ethyl]hexanamide.

Molecular Properties

Compound Name6-acetamido-N-[1-[4-(2-methylpropyl)phenyl]ethyl]hexanamide
PubChem CID112791697
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name6-acetamido-N-[1-[4-(2-methylpropyl)phenyl]ethyl]hexanamide
SMILESCC(=O)NCCCCCC(=O)NC(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C20H32N2O2/c1-15(2)14-18-9-11-19(12-10-18)16(3)22-20(24)8-6-5-7-13-21-17(4)23/h9-12,15-16H,5-8,13-14H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyYBLKVQXTLIJSEN-UHFFFAOYSA-N
XLogP3.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.76
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

4-methoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide
CID 86997778
5-(carbamoylamino)-N-[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]pentanamide
CID 60601068
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499
2-methyl-N-[3-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-3-oxopropyl]benzamide
CID 9092093
N-[3,4-dihydroxy-4-[4-(2-methylpropyl)phenyl]butyl]acetamide
CID 171883301
2-[4-(2-methylpropyl)phenyl]-N-(1-phenylethyl)acetamide
CID 86249193
2-ethoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 60636134
6-acetamido-N-butan-2-ylhexanamide
CID 60652726
4-[4-(2-methylpropyl)phenyl]-4-oxo-N-[1-(4-sulfamoylphenyl)ethyl]butanamide
CID 55689802
4-(2-methylpropyl)-N-[6-(propanoylamino)hexyl]benzamide
CID 67991258
3-[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]sulfanylpropanoic acid
CID 25476341
N-[4-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]-4-oxobutyl]cyclopropanecarboxamide
CID 55677698

Frequently Asked Questions

What is the IUPAC name of 6-acetamido-N-[1-[4-(2-methylpropyl)phenyl]ethyl]hexanamide?
The IUPAC name of 6-acetamido-N-[1-[4-(2-methylpropyl)phenyl]ethyl]hexanamide (CID 112791697) is 6-acetamido-N-[1-[4-(2-methylpropyl)phenyl]ethyl]hexanamide.
What is the SMILES notation for 6-acetamido-N-[1-[4-(2-methylpropyl)phenyl]ethyl]hexanamide?
The canonical SMILES for 6-acetamido-N-[1-[4-(2-methylpropyl)phenyl]ethyl]hexanamide is CC(=O)NCCCCCC(=O)NC(C)c1ccc(CC(C)C)cc1.
What is the InChIKey of 6-acetamido-N-[1-[4-(2-methylpropyl)phenyl]ethyl]hexanamide?
The InChIKey is YBLKVQXTLIJSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-15(2)14-18-9-11-19(12-10-18)16(3)22-20(24)8-6-5-7-13-21-17(4)23/h9-12,15-16H,5-8,13-14H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of 6-acetamido-N-[1-[4-(2-methylpropyl)phenyl]ethyl]hexanamide?
6-acetamido-N-[1-[4-(2-methylpropyl)phenyl]ethyl]hexanamide has a molecular weight of 332.49 g/mol, XLogP of 3.76, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-N-[1-[4-(2-methylpropyl)phenyl]ethyl]hexanamide is sourced from PubChem (CID 112791697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).