1-(cyclohex-3-en-1-ylmethyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea

C14H26N2O2 — CID 71915662

IUPAC1-(cyclohex-3-en-1-ylmethyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea
SMILESCC(C)CC(CO)NC(=O)NCC1CC=CCC1
InChIInChI=1S/C14H26N2O2/c1-11(2)8-13(10-17)16-14(18)15-9-12-6-4-3-5-7-12/h3-4,11-13,17H,5-10H2,1-2H3,(H2,15,16,18)
InChIKeyAIAUZPVQJLPQRL-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.05
Rot. Bonds6

About 1-(cyclohex-3-en-1-ylmethyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea

1-(cyclohex-3-en-1-ylmethyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea (PubChem CID 71915662) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(cyclohex-3-en-1-ylmethyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea.

Molecular Properties

Compound Name1-(cyclohex-3-en-1-ylmethyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea
PubChem CID71915662
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-(cyclohex-3-en-1-ylmethyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea
SMILESCC(C)CC(CO)NC(=O)NCC1CC=CCC1
InChIInChI=1S/C14H26N2O2/c1-11(2)8-13(10-17)16-14(18)15-9-12-6-4-3-5-7-12/h3-4,11-13,17H,5-10H2,1-2H3,(H2,15,16,18)
InChIKeyAIAUZPVQJLPQRL-UHFFFAOYSA-N
XLogP2.05
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(cyclohex-3-en-1-ylmethyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea with MolForge

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Related Compounds

1-(cyclohex-3-en-1-ylmethyl)-3-propylurea
CID 89090826
propan-2-yl N-(cyclohex-3-en-1-ylmethyl)carbamate
CID 116655281
(2R)-4-amino-2-(cyclohex-3-en-1-ylmethylcarbamoylamino)-4-oxobutanoic acid
CID 107827339
(2R)-2-(cyclohex-3-en-1-ylmethylamino)butan-1-ol
CID 103924278
(2S)-2-(cyclohex-3-en-1-ylmethylamino)butan-1-ol
CID 104980641
2-(cyclohex-3-en-1-ylmethylamino)propanoic acid
CID 61499571
methyl 2-(cyclohex-3-en-1-ylmethylamino)-4-methylpentanoate
CID 43688891
3-(cyclohex-3-en-1-ylmethylcarbamoylamino)-N,N-dimethylpropanamide
CID 60591653
2-(cyclohex-3-en-1-ylmethylamino)-N,4-dimethylpentanamide
CID 43750476
2-(cyclohex-3-en-1-ylmethylcarbamoylamino)-5-methoxypentanoic acid
CID 81085468
N-(cyclohex-3-en-1-ylmethyl)-2,2-difluoroacetamide
CID 103515679
1-(cyclohex-3-en-1-ylmethyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]urea
CID 60591630

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea?
The IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea (CID 71915662) is 1-(cyclohex-3-en-1-ylmethyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea.
What is the SMILES notation for 1-(cyclohex-3-en-1-ylmethyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea?
The canonical SMILES for 1-(cyclohex-3-en-1-ylmethyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea is CC(C)CC(CO)NC(=O)NCC1CC=CCC1.
What is the InChIKey of 1-(cyclohex-3-en-1-ylmethyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea?
The InChIKey is AIAUZPVQJLPQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-11(2)8-13(10-17)16-14(18)15-9-12-6-4-3-5-7-12/h3-4,11-13,17H,5-10H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-(cyclohex-3-en-1-ylmethyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea?
1-(cyclohex-3-en-1-ylmethyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea has a molecular weight of 254.37 g/mol, XLogP of 2.05, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-3-en-1-ylmethyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea is sourced from PubChem (CID 71915662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).