N-[2-(cyclohexen-1-yl)ethyl]-3-oxododecanamide

C20H35NO2 — CID 56669533

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-oxododecanamide
SMILESCCCCCCCCCC(=O)CC(=O)NCCC1=CCCCC1
InChIInChI=1S/C20H35NO2/c1-2-3-4-5-6-7-11-14-19(22)17-20(23)21-16-15-18-12-9-8-10-13-18/h12H,2-11,13-17H2,1H3,(H,21,23)
InChIKeyMYRVKPBJEYBDMJ-UHFFFAOYSA-N
MW321.51 g/mol
LogP5.09
Rot. Bonds13

About N-[2-(cyclohexen-1-yl)ethyl]-3-oxododecanamide

N-[2-(cyclohexen-1-yl)ethyl]-3-oxododecanamide (PubChem CID 56669533) has the molecular formula C20H35NO2 and a molecular weight of 321.51 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-oxododecanamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-oxododecanamide
PubChem CID56669533
Molecular FormulaC20H35NO2
Molecular Weight321.51 g/mol
Exact Mass321.27
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-oxododecanamide
SMILESCCCCCCCCCC(=O)CC(=O)NCCC1=CCCCC1
InChIInChI=1S/C20H35NO2/c1-2-3-4-5-6-7-11-14-19(22)17-20(23)21-16-15-18-12-9-8-10-13-18/h12H,2-11,13-17H2,1H3,(H,21,23)
InChIKeyMYRVKPBJEYBDMJ-UHFFFAOYSA-N
XLogP5.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.51
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(cyclohexen-1-yl)ethyl]-N-heptylbutanediamide
CID 3289082
5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid
CID 2932918
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173
1-N-[2-(cyclohexen-1-yl)ethyl]-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109132801
4-chloro-N-[2-(cyclohexen-1-yl)ethyl]butanamide
CID 4277806
1-octylcyclohexene
CID 519088
6-[[2-(cyclohexen-1-yl)acetyl]amino]hexanoic acid
CID 63565537
N-[2-(cyclohexen-1-yl)ethyl]-N'-(4-ethylphenyl)propanediamide
CID 108942962
N-[6-[2-(cyclohexen-1-yl)ethylamino]-6-oxohexyl]benzamide
CID 110839487
1-hexylcycloheptene
CID 15587826
1-nonylcyclooctene
CID 151486862
methyl N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]carbamate
CID 112991092

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-oxododecanamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-oxododecanamide (CID 56669533) is N-[2-(cyclohexen-1-yl)ethyl]-3-oxododecanamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-oxododecanamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-oxododecanamide is CCCCCCCCCC(=O)CC(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-oxododecanamide?
The InChIKey is MYRVKPBJEYBDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO2/c1-2-3-4-5-6-7-11-14-19(22)17-20(23)21-16-15-18-12-9-8-10-13-18/h12H,2-11,13-17H2,1H3,(H,21,23).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-oxododecanamide?
N-[2-(cyclohexen-1-yl)ethyl]-3-oxododecanamide has a molecular weight of 321.51 g/mol, XLogP of 5.09, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-3-oxododecanamide is sourced from PubChem (CID 56669533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).