2-ethyl-N-[4-(hydroxymethyl)-2,6-dimethylphenyl]heptanamide

C18H29NO2 — CID 168944628

IUPAC2-ethyl-N-[4-(hydroxymethyl)-2,6-dimethylphenyl]heptanamide
SMILESCCCCCC(CC)C(=O)Nc1c(C)cc(CO)cc1C
InChIInChI=1S/C18H29NO2/c1-5-7-8-9-16(6-2)18(21)19-17-13(3)10-15(12-20)11-14(17)4/h10-11,16,20H,5-9,12H2,1-4H3,(H,19,21)
InChIKeyPYLKPEDQXQOSGS-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.34
Rot. Bonds8

About 2-ethyl-N-[4-(hydroxymethyl)-2,6-dimethylphenyl]heptanamide

2-ethyl-N-[4-(hydroxymethyl)-2,6-dimethylphenyl]heptanamide (PubChem CID 168944628) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-ethyl-N-[4-(hydroxymethyl)-2,6-dimethylphenyl]heptanamide.

Molecular Properties

Compound Name2-ethyl-N-[4-(hydroxymethyl)-2,6-dimethylphenyl]heptanamide
PubChem CID168944628
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name2-ethyl-N-[4-(hydroxymethyl)-2,6-dimethylphenyl]heptanamide
SMILESCCCCCC(CC)C(=O)Nc1c(C)cc(CO)cc1C
InChIInChI=1S/C18H29NO2/c1-5-7-8-9-16(6-2)18(21)19-17-13(3)10-15(12-20)11-14(17)4/h10-11,16,20H,5-9,12H2,1-4H3,(H,19,21)
InChIKeyPYLKPEDQXQOSGS-UHFFFAOYSA-N
XLogP4.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.34
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

1,4-dichloro-2-methylbenzene;2-ethyl-N-[4-(hydroxymethyl)-2,6-dimethylphenyl]heptanamide
CID 168944627
(2R)-2-ethyl-N-(2,4,6-trichlorophenyl)hexanamide
CID 40563643
2-propyl-N-(2,4,6-trimethylphenyl)pentanamide
CID 11841490
N-[4-(hydroxymethyl)-2,6-dimethylphenyl]acetamide
CID 168944592
2-ethyl-N-(4-fluorophenyl)heptanamide
CID 130290912
N-(5-cyano-2-methylphenyl)-2-ethylhexanamide
CID 47475993
N-[5-(diethylamino)-2-methylphenyl]-2-ethylhexanamide
CID 146667862
N-(3-amino-4-methylphenyl)-2-ethylhexanamide
CID 43125441
N-(3-bromo-4-methylphenyl)-2-ethylhexanamide
CID 55223159
(2S)-2-amino-N-(2,4,6-trimethylphenyl)hexanamide
CID 103830837
N-(2,6-dimethyl-4-sulfamoylphenyl)-2-ethylbutanamide
CID 43246820
(2S,7S)-7-ethyl-N-(2-methylphenyl)-2-pentylundecanamide
CID 92692901

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[4-(hydroxymethyl)-2,6-dimethylphenyl]heptanamide?
The IUPAC name of 2-ethyl-N-[4-(hydroxymethyl)-2,6-dimethylphenyl]heptanamide (CID 168944628) is 2-ethyl-N-[4-(hydroxymethyl)-2,6-dimethylphenyl]heptanamide.
What is the SMILES notation for 2-ethyl-N-[4-(hydroxymethyl)-2,6-dimethylphenyl]heptanamide?
The canonical SMILES for 2-ethyl-N-[4-(hydroxymethyl)-2,6-dimethylphenyl]heptanamide is CCCCCC(CC)C(=O)Nc1c(C)cc(CO)cc1C.
What is the InChIKey of 2-ethyl-N-[4-(hydroxymethyl)-2,6-dimethylphenyl]heptanamide?
The InChIKey is PYLKPEDQXQOSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-5-7-8-9-16(6-2)18(21)19-17-13(3)10-15(12-20)11-14(17)4/h10-11,16,20H,5-9,12H2,1-4H3,(H,19,21).
What are the key properties of 2-ethyl-N-[4-(hydroxymethyl)-2,6-dimethylphenyl]heptanamide?
2-ethyl-N-[4-(hydroxymethyl)-2,6-dimethylphenyl]heptanamide has a molecular weight of 291.44 g/mol, XLogP of 4.34, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[4-(hydroxymethyl)-2,6-dimethylphenyl]heptanamide is sourced from PubChem (CID 168944628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).