1-cyclopent-3-en-1-yl-3-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]urea

C19H26N2O3 — CID 71970329

IUPAC1-cyclopent-3-en-1-yl-3-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]urea
SMILESCc1ccc(CNC(=O)NC2CC=CC2)c(OCC2CCCO2)c1
InChIInChI=1S/C19H26N2O3/c1-14-8-9-15(12-20-19(22)21-16-5-2-3-6-16)18(11-14)24-13-17-7-4-10-23-17/h2-3,8-9,11,16-17H,4-7,10,12-13H2,1H3,(H2,20,21,22)
InChIKeyHUSSEUFQZFKDQL-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.07
Rot. Bonds6

About 1-cyclopent-3-en-1-yl-3-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]urea

1-cyclopent-3-en-1-yl-3-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]urea (PubChem CID 71970329) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-cyclopent-3-en-1-yl-3-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]urea.

Molecular Properties

Compound Name1-cyclopent-3-en-1-yl-3-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]urea
PubChem CID71970329
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name1-cyclopent-3-en-1-yl-3-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]urea
SMILESCc1ccc(CNC(=O)NC2CC=CC2)c(OCC2CCCO2)c1
InChIInChI=1S/C19H26N2O3/c1-14-8-9-15(12-20-19(22)21-16-5-2-3-6-16)18(11-14)24-13-17-7-4-10-23-17/h2-3,8-9,11,16-17H,4-7,10,12-13H2,1H3,(H2,20,21,22)
InChIKeyHUSSEUFQZFKDQL-UHFFFAOYSA-N
XLogP3.07
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122006245
N-[[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]cyclopent-3-ene-1-carboxamide
CID 97320450
2-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119339664
3-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide
CID 119339663
2-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977012
4-(aminomethyl)-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide;hydrochloride
CID 119339674
2-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120795652
(2R,3S)-2-methyl-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]morpholine-3-carboxamide
CID 120936172
4-[[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methylamino]methyl]benzoic acid
CID 122031979
1-(1H-indazol-5-yl)-3-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]urea
CID 166217844
N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide
CID 154740250
2-[(2,5-dimethylphenoxy)methyl]oxolane
CID 71627927

Frequently Asked Questions

What is the IUPAC name of 1-cyclopent-3-en-1-yl-3-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]urea?
The IUPAC name of 1-cyclopent-3-en-1-yl-3-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]urea (CID 71970329) is 1-cyclopent-3-en-1-yl-3-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]urea.
What is the SMILES notation for 1-cyclopent-3-en-1-yl-3-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]urea?
The canonical SMILES for 1-cyclopent-3-en-1-yl-3-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]urea is Cc1ccc(CNC(=O)NC2CC=CC2)c(OCC2CCCO2)c1.
What is the InChIKey of 1-cyclopent-3-en-1-yl-3-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]urea?
The InChIKey is HUSSEUFQZFKDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-14-8-9-15(12-20-19(22)21-16-5-2-3-6-16)18(11-14)24-13-17-7-4-10-23-17/h2-3,8-9,11,16-17H,4-7,10,12-13H2,1H3,(H2,20,21,22).
What are the key properties of 1-cyclopent-3-en-1-yl-3-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]urea?
1-cyclopent-3-en-1-yl-3-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]urea has a molecular weight of 330.43 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopent-3-en-1-yl-3-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]urea is sourced from PubChem (CID 71970329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).