4-(hydroxymethyl)-N-tetradecylcyclohex-3-ene-1-carboxamide

C22H41NO2 — CID 174416000

IUPAC4-(hydroxymethyl)-N-tetradecylcyclohex-3-ene-1-carboxamide
SMILESCCCCCCCCCCCCCCNC(=O)C1CC=C(CO)CC1
InChIInChI=1S/C22H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-23-22(25)21-16-14-20(19-24)15-17-21/h14,21,24H,2-13,15-19H2,1H3,(H,23,25)
InChIKeyQWTBXMZWEROACI-UHFFFAOYSA-N
MW351.58 g/mol
LogP5.52
Rot. Bonds15

About 4-(hydroxymethyl)-N-tetradecylcyclohex-3-ene-1-carboxamide

4-(hydroxymethyl)-N-tetradecylcyclohex-3-ene-1-carboxamide (PubChem CID 174416000) has the molecular formula C22H41NO2 and a molecular weight of 351.58 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-tetradecylcyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-tetradecylcyclohex-3-ene-1-carboxamide
PubChem CID174416000
Molecular FormulaC22H41NO2
Molecular Weight351.58 g/mol
Exact Mass351.31
IUPAC Name4-(hydroxymethyl)-N-tetradecylcyclohex-3-ene-1-carboxamide
SMILESCCCCCCCCCCCCCCNC(=O)C1CC=C(CO)CC1
InChIInChI=1S/C22H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-23-22(25)21-16-14-20(19-24)15-17-21/h14,21,24H,2-13,15-19H2,1H3,(H,23,25)
InChIKeyQWTBXMZWEROACI-UHFFFAOYSA-N
XLogP5.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.58
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N,3-N,5-N-tris(icos-9-enyl)cyclohexane-1,3,5-tricarboxamide
CID 91306544
1-N,3-N,5-N-tris[(Z)-icos-9-enyl]cyclohexane-1,3,5-tricarboxamide
CID 87832718
cis-(1S,5R)-1-N,5-N-didodecyl-3-N-[(Z)-octadec-9-enyl]cyclohexane-1,3,5-tricarboxamide
CID 69431968
N-pentyl-4-propan-2-ylcyclohexane-1-carboxamide
CID 166944629
N-tetradecylpyrrolidine-3-carboxamide;hydrochloride
CID 154586688
2-oxo-N-pentylpiperidine-4-carboxamide
CID 110682108
1-ethylsulfonyl-N-heptylpiperidine-4-carboxamide
CID 174300935
N-(6-hydroxyhexyl)-4-methylcyclohexane-1-carboxamide
CID 113351776
(1S,6S)-6-(hexylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 40579321
3-(dodecylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 154961304
N-hexyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 32645883
6-methyl-N-pentyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113204140

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-tetradecylcyclohex-3-ene-1-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N-tetradecylcyclohex-3-ene-1-carboxamide (CID 174416000) is 4-(hydroxymethyl)-N-tetradecylcyclohex-3-ene-1-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-tetradecylcyclohex-3-ene-1-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N-tetradecylcyclohex-3-ene-1-carboxamide is CCCCCCCCCCCCCCNC(=O)C1CC=C(CO)CC1.
What is the InChIKey of 4-(hydroxymethyl)-N-tetradecylcyclohex-3-ene-1-carboxamide?
The InChIKey is QWTBXMZWEROACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-23-22(25)21-16-14-20(19-24)15-17-21/h14,21,24H,2-13,15-19H2,1H3,(H,23,25).
What are the key properties of 4-(hydroxymethyl)-N-tetradecylcyclohex-3-ene-1-carboxamide?
4-(hydroxymethyl)-N-tetradecylcyclohex-3-ene-1-carboxamide has a molecular weight of 351.58 g/mol, XLogP of 5.52, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-tetradecylcyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 174416000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).