N'-[2-(cyclohexen-1-yl)ethyl]-N-heptylbutanediamide

C19H34N2O2 — CID 3289082

IUPACN'-[2-(cyclohexen-1-yl)ethyl]-N-heptylbutanediamide
SMILESCCCCCCCNC(=O)CCC(=O)NCCC1=CCCCC1
InChIInChI=1S/C19H34N2O2/c1-2-3-4-5-9-15-20-18(22)12-13-19(23)21-16-14-17-10-7-6-8-11-17/h10H,2-9,11-16H2,1H3,(H,20,22)(H,21,23)
InChIKeyJPOSGMQRTSALEG-UHFFFAOYSA-N
MW322.49 g/mol
LogP3.86
Rot. Bonds12

About N'-[2-(cyclohexen-1-yl)ethyl]-N-heptylbutanediamide

N'-[2-(cyclohexen-1-yl)ethyl]-N-heptylbutanediamide (PubChem CID 3289082) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is N'-[2-(cyclohexen-1-yl)ethyl]-N-heptylbutanediamide.

Molecular Properties

Compound NameN'-[2-(cyclohexen-1-yl)ethyl]-N-heptylbutanediamide
PubChem CID3289082
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC NameN'-[2-(cyclohexen-1-yl)ethyl]-N-heptylbutanediamide
SMILESCCCCCCCNC(=O)CCC(=O)NCCC1=CCCCC1
InChIInChI=1S/C19H34N2O2/c1-2-3-4-5-9-15-20-18(22)12-13-19(23)21-16-14-17-10-7-6-8-11-17/h10H,2-9,11-16H2,1H3,(H,20,22)(H,21,23)
InChIKeyJPOSGMQRTSALEG-UHFFFAOYSA-N
XLogP3.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 53.86
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'}

Analyze N'-[2-(cyclohexen-1-yl)ethyl]-N-heptylbutanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-3-oxododecanamide
CID 56669533
1-N-[2-(cyclohexen-1-yl)ethyl]-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109132801
5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid
CID 2932918
4-chloro-N-[2-(cyclohexen-1-yl)ethyl]butanamide
CID 4277806
N-[6-[2-(cyclohexen-1-yl)ethylamino]-6-oxohexyl]benzamide
CID 110839487
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173
1-[2-(cyclohexen-1-yl)ethyl]-3-(5-methoxypentyl)urea
CID 122160040
methyl 5-[2-(cyclohexen-1-yl)ethylcarbamoylamino]pentanoate
CID 60591326
N-[2-(cyclohexen-1-yl)ethyl]-3-(cyclopentylamino)propanamide
CID 109013591
1-octylcyclohexene
CID 519088
2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-butylacetamide
CID 113159604
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(4-methoxyphenyl)methyl]butanediamide
CID 5108050

Frequently Asked Questions

What is the IUPAC name of N'-[2-(cyclohexen-1-yl)ethyl]-N-heptylbutanediamide?
The IUPAC name of N'-[2-(cyclohexen-1-yl)ethyl]-N-heptylbutanediamide (CID 3289082) is N'-[2-(cyclohexen-1-yl)ethyl]-N-heptylbutanediamide.
What is the SMILES notation for N'-[2-(cyclohexen-1-yl)ethyl]-N-heptylbutanediamide?
The canonical SMILES for N'-[2-(cyclohexen-1-yl)ethyl]-N-heptylbutanediamide is CCCCCCCNC(=O)CCC(=O)NCCC1=CCCCC1.
What is the InChIKey of N'-[2-(cyclohexen-1-yl)ethyl]-N-heptylbutanediamide?
The InChIKey is JPOSGMQRTSALEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O2/c1-2-3-4-5-9-15-20-18(22)12-13-19(23)21-16-14-17-10-7-6-8-11-17/h10H,2-9,11-16H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(cyclohexen-1-yl)ethyl]-N-heptylbutanediamide?
N'-[2-(cyclohexen-1-yl)ethyl]-N-heptylbutanediamide has a molecular weight of 322.49 g/mol, XLogP of 3.86, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(cyclohexen-1-yl)ethyl]-N-heptylbutanediamide is sourced from PubChem (CID 3289082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).