ethane;1-[(3Z,5Z)-5-ethyl-3-methylhepta-1,3,5-trien-2-yl]-3-methylurea

C14H26N2O — CID 143344506

IUPACethane;1-[(3Z,5Z)-5-ethyl-3-methylhepta-1,3,5-trien-2-yl]-3-methylurea
SMILESC=C(NC(=O)NC)/C(C)=C\C(=C/C)CC.CC
InChIInChI=1S/C12H20N2O.C2H6/c1-6-11(7-2)8-9(3)10(4)14-12(15)13-5;1-2/h6,8H,4,7H2,1-3,5H3,(H2,13,14,15);1-2H3/b9-8-,11-6-;
InChIKeyIODCNMLGSKRNIO-FKRDJXEBSA-N
MW238.37 g/mol
LogP3.76
Rot. Bonds4

About ethane;1-[(3Z,5Z)-5-ethyl-3-methylhepta-1,3,5-trien-2-yl]-3-methylurea

ethane;1-[(3Z,5Z)-5-ethyl-3-methylhepta-1,3,5-trien-2-yl]-3-methylurea (PubChem CID 143344506) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is ethane;1-[(3Z,5Z)-5-ethyl-3-methylhepta-1,3,5-trien-2-yl]-3-methylurea.

Molecular Properties

Compound Nameethane;1-[(3Z,5Z)-5-ethyl-3-methylhepta-1,3,5-trien-2-yl]-3-methylurea
PubChem CID143344506
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Nameethane;1-[(3Z,5Z)-5-ethyl-3-methylhepta-1,3,5-trien-2-yl]-3-methylurea
SMILESC=C(NC(=O)NC)/C(C)=C\C(=C/C)CC.CC
InChIInChI=1S/C12H20N2O.C2H6/c1-6-11(7-2)8-9(3)10(4)14-12(15)13-5;1-2/h6,8H,4,7H2,1-3,5H3,(H2,13,14,15);1-2H3/b9-8-,11-6-;
InChIKeyIODCNMLGSKRNIO-FKRDJXEBSA-N
XLogP3.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;1-[(3Z,5Z)-5-ethyl-3-methylhepta-1,3,5-trien-2-yl]-3-methylurea 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

(4E,6Z)-6-ethyl-3-methylideneocta-4,6-dien-4-amine
CID 166909191
(E)-N-but-1-en-2-yl-2-methylbut-2-enamide
CID 166829652
1,3-dimethylurea;prop-1-ene
CID 160798014
6-ethyl-2-methyl-4-methylidenenona-1,5,7-triene
CID 123708216
N-[(2Z,4Z)-4-ethylhexa-2,4-dien-2-yl]methanimine
CID 143591444
1-[(3E,5Z)-5-ethylocta-1,3,5,7-tetraen-4-yl]-3-methylurea
CID 138569425
(2E,4Z)-2-ethenyl-4-ethylhexa-2,4-dienamide
CID 145265634
(5Z,6Z)-8-chloro-5-ethylidene-7-methylnona-6,8-dien-2-one
CID 156886732
(2E,4E)-4-ethyl-2-methylhepta-2,4-dienoic acid
CID 11309745
5-ethyl-2-methylidenehepta-3,5-dienoic acid
CID 91121343
(2E,4Z)-2-ethenyl-4-ethylhexa-2,4-dienal
CID 143311273
N-(methylcarbamoylcarbamoylcarbamoyl)acetamide
CID 137435335

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(3Z,5Z)-5-ethyl-3-methylhepta-1,3,5-trien-2-yl]-3-methylurea?
The IUPAC name of ethane;1-[(3Z,5Z)-5-ethyl-3-methylhepta-1,3,5-trien-2-yl]-3-methylurea (CID 143344506) is ethane;1-[(3Z,5Z)-5-ethyl-3-methylhepta-1,3,5-trien-2-yl]-3-methylurea.
What is the SMILES notation for ethane;1-[(3Z,5Z)-5-ethyl-3-methylhepta-1,3,5-trien-2-yl]-3-methylurea?
The canonical SMILES for ethane;1-[(3Z,5Z)-5-ethyl-3-methylhepta-1,3,5-trien-2-yl]-3-methylurea is C=C(NC(=O)NC)/C(C)=C\C(=C/C)CC.CC.
What is the InChIKey of ethane;1-[(3Z,5Z)-5-ethyl-3-methylhepta-1,3,5-trien-2-yl]-3-methylurea?
The InChIKey is IODCNMLGSKRNIO-FKRDJXEBSA-N. The full InChI is InChI=1S/C12H20N2O.C2H6/c1-6-11(7-2)8-9(3)10(4)14-12(15)13-5;1-2/h6,8H,4,7H2,1-3,5H3,(H2,13,14,15);1-2H3/b9-8-,11-6-;.
What are the key properties of ethane;1-[(3Z,5Z)-5-ethyl-3-methylhepta-1,3,5-trien-2-yl]-3-methylurea?
ethane;1-[(3Z,5Z)-5-ethyl-3-methylhepta-1,3,5-trien-2-yl]-3-methylurea has a molecular weight of 238.37 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(3Z,5Z)-5-ethyl-3-methylhepta-1,3,5-trien-2-yl]-3-methylurea is sourced from PubChem (CID 143344506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).