6-(2-heptylphenyl)-N-(2-hydroxyethyl)hexanamide

C21H35NO2 — CID 101051335

IUPAC6-(2-heptylphenyl)-N-(2-hydroxyethyl)hexanamide
SMILESCCCCCCCc1ccccc1CCCCCC(=O)NCCO
InChIInChI=1S/C21H35NO2/c1-2-3-4-5-7-12-19-14-10-11-15-20(19)13-8-6-9-16-21(24)22-17-18-23/h10-11,14-15,23H,2-9,12-13,16-18H2,1H3,(H,22,24)
InChIKeyPSCNLZYYUMBEPJ-UHFFFAOYSA-N
MW333.52 g/mol
LogP4.41
Rot. Bonds14

About 6-(2-heptylphenyl)-N-(2-hydroxyethyl)hexanamide

6-(2-heptylphenyl)-N-(2-hydroxyethyl)hexanamide (PubChem CID 101051335) has the molecular formula C21H35NO2 and a molecular weight of 333.52 g/mol. Its IUPAC name is 6-(2-heptylphenyl)-N-(2-hydroxyethyl)hexanamide.

Molecular Properties

Compound Name6-(2-heptylphenyl)-N-(2-hydroxyethyl)hexanamide
PubChem CID101051335
Molecular FormulaC21H35NO2
Molecular Weight333.52 g/mol
Exact Mass333.27
IUPAC Name6-(2-heptylphenyl)-N-(2-hydroxyethyl)hexanamide
SMILESCCCCCCCc1ccccc1CCCCCC(=O)NCCO
InChIInChI=1S/C21H35NO2/c1-2-3-4-5-7-12-19-14-10-11-15-20(19)13-8-6-9-16-21(24)22-17-18-23/h10-11,14-15,23H,2-9,12-13,16-18H2,1H3,(H,22,24)
InChIKeyPSCNLZYYUMBEPJ-UHFFFAOYSA-N
XLogP4.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 54.41
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

N-(2-hydroxyethyl)heptadecanamide
CID 14455158
N-(2-hydroxyethyl)pentacosanamide
CID 14455162
N-[[2-[(tricosanoylamino)methyl]phenyl]methyl]tricosanamide
CID 101291084
N-(2-hydroxyethyl)hexadecanamide;phosphoric acid
CID 172708754
N-[3-[2-(2-aminopropan-2-yl)phenyl]propyl]nonanamide
CID 20977213
N-(4-phenylbutyl)hexanamide
CID 4985988
carbonic acid;1,2-dihexylbenzene
CID 174444225
carbonic acid;1,2-dioctylbenzene
CID 174715227
N-[(2-hydroxyphenyl)methyl]octadecanamide
CID 154122787
(13Z,16Z)-N-(2-hydroxyethyl)docosa-13,16-dienamide
CID 155521217
N-(2-hydroxyethyl)docosa-7,10,13,16-tetraenamide
CID 2186
N-(3-hydroxypropyl)docosanamide
CID 87200048

Frequently Asked Questions

What is the IUPAC name of 6-(2-heptylphenyl)-N-(2-hydroxyethyl)hexanamide?
The IUPAC name of 6-(2-heptylphenyl)-N-(2-hydroxyethyl)hexanamide (CID 101051335) is 6-(2-heptylphenyl)-N-(2-hydroxyethyl)hexanamide.
What is the SMILES notation for 6-(2-heptylphenyl)-N-(2-hydroxyethyl)hexanamide?
The canonical SMILES for 6-(2-heptylphenyl)-N-(2-hydroxyethyl)hexanamide is CCCCCCCc1ccccc1CCCCCC(=O)NCCO.
What is the InChIKey of 6-(2-heptylphenyl)-N-(2-hydroxyethyl)hexanamide?
The InChIKey is PSCNLZYYUMBEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35NO2/c1-2-3-4-5-7-12-19-14-10-11-15-20(19)13-8-6-9-16-21(24)22-17-18-23/h10-11,14-15,23H,2-9,12-13,16-18H2,1H3,(H,22,24).
What are the key properties of 6-(2-heptylphenyl)-N-(2-hydroxyethyl)hexanamide?
6-(2-heptylphenyl)-N-(2-hydroxyethyl)hexanamide has a molecular weight of 333.52 g/mol, XLogP of 4.41, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-heptylphenyl)-N-(2-hydroxyethyl)hexanamide is sourced from PubChem (CID 101051335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).