1-(cyclohex-3-en-1-ylmethyl)-3-[1-(4-methoxyphenyl)propyl]urea

C18H26N2O2 — CID 60593300

IUPAC1-(cyclohex-3-en-1-ylmethyl)-3-[1-(4-methoxyphenyl)propyl]urea
SMILESCCC(NC(=O)NCC1CC=CCC1)c1ccc(OC)cc1
InChIInChI=1S/C18H26N2O2/c1-3-17(15-9-11-16(22-2)12-10-15)20-18(21)19-13-14-7-5-4-6-8-14/h4-5,9-12,14,17H,3,6-8,13H2,1-2H3,(H2,19,20,21)
InChIKeyXENBTZNVKVETJS-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.80
Rot. Bonds6

About 1-(cyclohex-3-en-1-ylmethyl)-3-[1-(4-methoxyphenyl)propyl]urea

1-(cyclohex-3-en-1-ylmethyl)-3-[1-(4-methoxyphenyl)propyl]urea (PubChem CID 60593300) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-(cyclohex-3-en-1-ylmethyl)-3-[1-(4-methoxyphenyl)propyl]urea.

Molecular Properties

Compound Name1-(cyclohex-3-en-1-ylmethyl)-3-[1-(4-methoxyphenyl)propyl]urea
PubChem CID60593300
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-(cyclohex-3-en-1-ylmethyl)-3-[1-(4-methoxyphenyl)propyl]urea
SMILESCCC(NC(=O)NCC1CC=CCC1)c1ccc(OC)cc1
InChIInChI=1S/C18H26N2O2/c1-3-17(15-9-11-16(22-2)12-10-15)20-18(21)19-13-14-7-5-4-6-8-14/h4-5,9-12,14,17H,3,6-8,13H2,1-2H3,(H2,19,20,21)
InChIKeyXENBTZNVKVETJS-UHFFFAOYSA-N
XLogP3.80
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(4-methoxyphenyl)propyl]-3-propylurea
CID 133230838
N-cyclopentyl-3-[1-(4-methoxyphenyl)propylcarbamoylamino]propanamide
CID 60569995
1-(2-hydroxy-3-methylpentyl)-3-[1-(4-methoxyphenyl)propyl]urea
CID 111337836
N-[1-(4-methoxyphenyl)propyl]-2-piperidin-4-ylacetamide
CID 61029711
N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 10774699
N-(cyclohexylmethyl)-2-[1-(4-methoxyphenyl)propylamino]propanamide
CID 112771603
N-(cyclohex-3-en-1-ylmethyl)-2-hydroxy-2-(3-methoxyphenyl)acetamide
CID 84594957
N-[1-(4-methoxyphenyl)propyl]cyclohexanecarboxamide
CID 18115473
3-[1-(4-methoxyphenyl)propylcarbamoylamino]-2,2-dimethylpropanamide
CID 87000051
N-(cyclopropylmethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43190722
2,2,2-trifluoro-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 62733543
1-[(2-methoxyphenyl)methyl]-3-[1-(4-methoxyphenyl)propyl]urea
CID 134042538

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-3-[1-(4-methoxyphenyl)propyl]urea?
The IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-3-[1-(4-methoxyphenyl)propyl]urea (CID 60593300) is 1-(cyclohex-3-en-1-ylmethyl)-3-[1-(4-methoxyphenyl)propyl]urea.
What is the SMILES notation for 1-(cyclohex-3-en-1-ylmethyl)-3-[1-(4-methoxyphenyl)propyl]urea?
The canonical SMILES for 1-(cyclohex-3-en-1-ylmethyl)-3-[1-(4-methoxyphenyl)propyl]urea is CCC(NC(=O)NCC1CC=CCC1)c1ccc(OC)cc1.
What is the InChIKey of 1-(cyclohex-3-en-1-ylmethyl)-3-[1-(4-methoxyphenyl)propyl]urea?
The InChIKey is XENBTZNVKVETJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-3-17(15-9-11-16(22-2)12-10-15)20-18(21)19-13-14-7-5-4-6-8-14/h4-5,9-12,14,17H,3,6-8,13H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(cyclohex-3-en-1-ylmethyl)-3-[1-(4-methoxyphenyl)propyl]urea?
1-(cyclohex-3-en-1-ylmethyl)-3-[1-(4-methoxyphenyl)propyl]urea has a molecular weight of 302.42 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 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-(4-methoxyphenyl)propyl]urea is sourced from PubChem (CID 60593300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).