3-[(3E,5E)-6-ethyl-7-methylocta-3,5,7-trien-3-yl]-1,1-dimethylurea

C14H24N2O — CID 154979097

IUPAC3-[(3E,5E)-6-ethyl-7-methylocta-3,5,7-trien-3-yl]-1,1-dimethylurea
SMILESC=C(C)/C(=C/C=C(\CC)NC(=O)N(C)C)CC
InChIInChI=1S/C14H24N2O/c1-7-12(11(3)4)9-10-13(8-2)15-14(17)16(5)6/h9-10H,3,7-8H2,1-2,4-6H3,(H,15,17)/b12-9+,13-10+
InChIKeyVJXNUMLOOJFPLA-JOWSBRCASA-N
MW236.36 g/mol
LogP3.46
Rot. Bonds5

About 3-[(3E,5E)-6-ethyl-7-methylocta-3,5,7-trien-3-yl]-1,1-dimethylurea

3-[(3E,5E)-6-ethyl-7-methylocta-3,5,7-trien-3-yl]-1,1-dimethylurea (PubChem CID 154979097) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-[(3E,5E)-6-ethyl-7-methylocta-3,5,7-trien-3-yl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[(3E,5E)-6-ethyl-7-methylocta-3,5,7-trien-3-yl]-1,1-dimethylurea
PubChem CID154979097
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name3-[(3E,5E)-6-ethyl-7-methylocta-3,5,7-trien-3-yl]-1,1-dimethylurea
SMILESC=C(C)/C(=C/C=C(\CC)NC(=O)N(C)C)CC
InChIInChI=1S/C14H24N2O/c1-7-12(11(3)4)9-10-13(8-2)15-14(17)16(5)6/h9-10H,3,7-8H2,1-2,4-6H3,(H,15,17)/b12-9+,13-10+
InChIKeyVJXNUMLOOJFPLA-JOWSBRCASA-N
XLogP3.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-[(3E,5E)-6-ethyl-7-methylocta-3,5,7-trien-3-yl]-1,1-dimethylurea 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-[(3Z)-3-ethylhexa-1,3,5-trien-2-yl]acetamide
CID 177208233
(1Z)-2-ethyl-3-methylbuta-1,3-dien-1-amine
CID 143331601
N-[(3E,5E)-6-sulfamoylhepta-3,5-dien-3-yl]acetamide
CID 134267842
dimethylcarbamoylcarbamic acid
CID 22418529
(3Z)-3-ethyl-5-fluoro-2,6-dimethylhepta-1,3,5-triene
CID 145100268
(E)-2-ethyl-N,N-dimethylbut-2-enamide
CID 143612571
(E)-N-but-1-en-2-yl-2-methylbut-2-enamide
CID 166829652
(2E,4E)-2-ethyl-5-hydroxyhexa-2,4-dienoic acid
CID 142196087
(3E,5Z)-N-but-1-en-2-yl-7-methylocta-3,5-dien-3-amine
CID 142114381
azane;N,N,2-trimethylprop-2-enamide
CID 162327856
1,1-dimethyl-3-(3-methylpentan-3-yl)urea
CID 103661863
N-[(2E,4Z)-5-ethyl-6-methylhepta-2,4,6-trien-2-yl]naphthalen-2-amine
CID 145144847

Frequently Asked Questions

What is the IUPAC name of 3-[(3E,5E)-6-ethyl-7-methylocta-3,5,7-trien-3-yl]-1,1-dimethylurea?
The IUPAC name of 3-[(3E,5E)-6-ethyl-7-methylocta-3,5,7-trien-3-yl]-1,1-dimethylurea (CID 154979097) is 3-[(3E,5E)-6-ethyl-7-methylocta-3,5,7-trien-3-yl]-1,1-dimethylurea.
What is the SMILES notation for 3-[(3E,5E)-6-ethyl-7-methylocta-3,5,7-trien-3-yl]-1,1-dimethylurea?
The canonical SMILES for 3-[(3E,5E)-6-ethyl-7-methylocta-3,5,7-trien-3-yl]-1,1-dimethylurea is C=C(C)/C(=C/C=C(\CC)NC(=O)N(C)C)CC.
What is the InChIKey of 3-[(3E,5E)-6-ethyl-7-methylocta-3,5,7-trien-3-yl]-1,1-dimethylurea?
The InChIKey is VJXNUMLOOJFPLA-JOWSBRCASA-N. The full InChI is InChI=1S/C14H24N2O/c1-7-12(11(3)4)9-10-13(8-2)15-14(17)16(5)6/h9-10H,3,7-8H2,1-2,4-6H3,(H,15,17)/b12-9+,13-10+.
What are the key properties of 3-[(3E,5E)-6-ethyl-7-methylocta-3,5,7-trien-3-yl]-1,1-dimethylurea?
3-[(3E,5E)-6-ethyl-7-methylocta-3,5,7-trien-3-yl]-1,1-dimethylurea has a molecular weight of 236.36 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3E,5E)-6-ethyl-7-methylocta-3,5,7-trien-3-yl]-1,1-dimethylurea is sourced from PubChem (CID 154979097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).