ethyl N-undeca-4,5-dienylcarbamate

C14H25NO2 — CID 102467257

IUPACethyl N-undeca-4,5-dienylcarbamate
SMILESCCCCCC=C=CCCCNC(=O)OCC
InChIInChI=1S/C14H25NO2/c1-3-5-6-7-8-9-10-11-12-13-15-14(16)17-4-2/h8,10H,3-7,11-13H2,1-2H3,(H,15,16)
InChIKeyFOCFBXSASSWXJC-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.80
Rot. Bonds9

About ethyl N-undeca-4,5-dienylcarbamate

ethyl N-undeca-4,5-dienylcarbamate (PubChem CID 102467257) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is ethyl N-undeca-4,5-dienylcarbamate.

Molecular Properties

Compound Nameethyl N-undeca-4,5-dienylcarbamate
PubChem CID102467257
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Nameethyl N-undeca-4,5-dienylcarbamate
SMILESCCCCCC=C=CCCCNC(=O)OCC
InChIInChI=1S/C14H25NO2/c1-3-5-6-7-8-9-10-11-12-13-15-14(16)17-4-2/h8,10H,3-7,11-13H2,1-2H3,(H,15,16)
InChIKeyFOCFBXSASSWXJC-UHFFFAOYSA-N
XLogP3.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethyl N-undeca-4,5-dienylcarbamate 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

ethyl N-(5-oxopentyl)carbamate
CID 58601506
ethyl N-pentylcarbamate;molecular hydrogen
CID 144707545
ethyl trideca-3,4-dienoate
CID 24976454
ethyl N-[2-(butylcarbamoylamino)ethyl]carbamate
CID 108888216
ethyl N-propylcarbamate
CID 12199
octadec-9-enyl N-butylcarbamate
CID 91581457
ethyl N-(4,4-dihydroxybutyl)carbamate
CID 87555159
nona-2,3-dienylcarbamoyl prop-2-enoate
CID 141295889
(2-amino-2-oxoethyl) N-[(Z)-hexadec-9-enyl]carbamate
CID 140526271
undecyl N-octylcarbamate
CID 168918698
propyl N-octylcarbamate
CID 18951449
propyl N-nonylcarbamate
CID 91709550

Frequently Asked Questions

What is the IUPAC name of ethyl N-undeca-4,5-dienylcarbamate?
The IUPAC name of ethyl N-undeca-4,5-dienylcarbamate (CID 102467257) is ethyl N-undeca-4,5-dienylcarbamate.
What is the SMILES notation for ethyl N-undeca-4,5-dienylcarbamate?
The canonical SMILES for ethyl N-undeca-4,5-dienylcarbamate is CCCCCC=C=CCCCNC(=O)OCC.
What is the InChIKey of ethyl N-undeca-4,5-dienylcarbamate?
The InChIKey is FOCFBXSASSWXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-3-5-6-7-8-9-10-11-12-13-15-14(16)17-4-2/h8,10H,3-7,11-13H2,1-2H3,(H,15,16).
What are the key properties of ethyl N-undeca-4,5-dienylcarbamate?
ethyl N-undeca-4,5-dienylcarbamate has a molecular weight of 239.36 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-undeca-4,5-dienylcarbamate is sourced from PubChem (CID 102467257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).