N-butyl-N-ethyl-7-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxamide

C14H23NO2 — CID 155012024

IUPACN-butyl-N-ethyl-7-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCCCCN(CC)C(=O)C1CC2C=CC1C2O
InChIInChI=1S/C14H23NO2/c1-3-5-8-15(4-2)14(17)12-9-10-6-7-11(12)13(10)16/h6-7,10-13,16H,3-5,8-9H2,1-2H3
InChIKeyZPNZXMJKWYMXEK-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.82
Rot. Bonds5

About N-butyl-N-ethyl-7-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxamide

N-butyl-N-ethyl-7-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 155012024) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-butyl-N-ethyl-7-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-7-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID155012024
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-butyl-N-ethyl-7-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCCCCN(CC)C(=O)C1CC2C=CC1C2O
InChIInChI=1S/C14H23NO2/c1-3-5-8-15(4-2)14(17)12-9-10-6-7-11(12)13(10)16/h6-7,10-13,16H,3-5,8-9H2,1-2H3
InChIKeyZPNZXMJKWYMXEK-UHFFFAOYSA-N
XLogP1.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

pentyl 7-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 155012007
2-[butyl(ethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 114511258
(1R,2S,3S,4S)-3-(dibutylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 51419039
N-butyl-N-ethyladamantane-2-carboxamide
CID 86910306
N-(3-aminopropyl)-N-ethyl-2-methylcyclopropane-1-carboxamide
CID 43136497
(2R,3R)-2-N,2-N,3-N,3-N-tetraethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 10040011
3-[butyl(2-hydroxyethyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 60950043
(1R,2S,3R,4R)-3-(dipentylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98298333
(1S,6R)-6-(dibutylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 7030737
3-(dioctylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 58722608
2-amino-N,N-dibutyl-5-methylcyclohexane-1-carboxamide
CID 65456425
methyl 3-[bicyclo[2.2.1]hept-5-ene-2-carbonyl(ethyl)amino]propanoate
CID 54898736

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-7-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of N-butyl-N-ethyl-7-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 155012024) is N-butyl-N-ethyl-7-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for N-butyl-N-ethyl-7-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for N-butyl-N-ethyl-7-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxamide is CCCCN(CC)C(=O)C1CC2C=CC1C2O.
What is the InChIKey of N-butyl-N-ethyl-7-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is ZPNZXMJKWYMXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-5-8-15(4-2)14(17)12-9-10-6-7-11(12)13(10)16/h6-7,10-13,16H,3-5,8-9H2,1-2H3.
What are the key properties of N-butyl-N-ethyl-7-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxamide?
N-butyl-N-ethyl-7-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 237.34 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-7-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 155012024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).