1-methyl-3-(1-oxaspiro[4.5]decan-3-yl)-1-[(E)-3-phenylprop-2-enyl]urea

C20H28N2O2 — CID 121499432

IUPAC1-methyl-3-(1-oxaspiro[4.5]decan-3-yl)-1-[(E)-3-phenylprop-2-enyl]urea
SMILESCN(C/C=C/c1ccccc1)C(=O)NC1COC2(CCCCC2)C1
InChIInChI=1S/C20H28N2O2/c1-22(14-8-11-17-9-4-2-5-10-17)19(23)21-18-15-20(24-16-18)12-6-3-7-13-20/h2,4-5,8-11,18H,3,6-7,12-16H2,1H3,(H,21,23)/b11-8+
InChIKeyJDROWXQPIHNETG-DHZHZOJOSA-N
MW328.46 g/mol
LogP3.83
Rot. Bonds4

About 1-methyl-3-(1-oxaspiro[4.5]decan-3-yl)-1-[(E)-3-phenylprop-2-enyl]urea

1-methyl-3-(1-oxaspiro[4.5]decan-3-yl)-1-[(E)-3-phenylprop-2-enyl]urea (PubChem CID 121499432) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-methyl-3-(1-oxaspiro[4.5]decan-3-yl)-1-[(E)-3-phenylprop-2-enyl]urea.

Molecular Properties

Compound Name1-methyl-3-(1-oxaspiro[4.5]decan-3-yl)-1-[(E)-3-phenylprop-2-enyl]urea
PubChem CID121499432
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name1-methyl-3-(1-oxaspiro[4.5]decan-3-yl)-1-[(E)-3-phenylprop-2-enyl]urea
SMILESCN(C/C=C/c1ccccc1)C(=O)NC1COC2(CCCCC2)C1
InChIInChI=1S/C20H28N2O2/c1-22(14-8-11-17-9-4-2-5-10-17)19(23)21-18-15-20(24-16-18)12-6-3-7-13-20/h2,4-5,8-11,18H,3,6-7,12-16H2,1H3,(H,21,23)/b11-8+
InChIKeyJDROWXQPIHNETG-DHZHZOJOSA-N
XLogP3.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-methyl-3-(1-oxaspiro[4.5]decan-3-yl)-1-[(E)-3-phenylprop-2-enyl]urea 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

1-methyl-3-[(3R)-1-oxaspiro[4.5]decan-3-yl]-1-[(E)-3-phenylprop-2-enyl]urea
CID 126431485
N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-3-phenoxypropanamide
CID 124754927
N-cyclopropyl-2-oxo-N-(3-phenylprop-2-enyl)-1-oxaspiro[4.5]decane-4-carboxamide
CID 171139697
3-(1H-indol-3-yl)-N-(1-oxaspiro[4.5]decan-3-yl)propanamide
CID 91833615
2-morpholin-4-yl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]benzamide
CID 125165608
N-(1-oxaspiro[4.5]decan-3-yl)pyridine-4-carboxamide
CID 91767897
4-(4-fluorophenyl)-N-(1-oxaspiro[4.5]decan-3-yl)-4-oxobutanamide
CID 91841544
N-methyl-N-[(E)-3-phenylprop-2-enyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 122559347
N-(1-oxaspiro[4.5]decan-3-yl)-1-phenyltriazole-4-carboxamide
CID 56901358
N-ethyl-N-(3-phenylprop-2-enyl)cyclopropanecarboxamide
CID 76600124
N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 124751545
2-indazol-1-yl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]acetamide
CID 124752869

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1-oxaspiro[4.5]decan-3-yl)-1-[(E)-3-phenylprop-2-enyl]urea?
The IUPAC name of 1-methyl-3-(1-oxaspiro[4.5]decan-3-yl)-1-[(E)-3-phenylprop-2-enyl]urea (CID 121499432) is 1-methyl-3-(1-oxaspiro[4.5]decan-3-yl)-1-[(E)-3-phenylprop-2-enyl]urea.
What is the SMILES notation for 1-methyl-3-(1-oxaspiro[4.5]decan-3-yl)-1-[(E)-3-phenylprop-2-enyl]urea?
The canonical SMILES for 1-methyl-3-(1-oxaspiro[4.5]decan-3-yl)-1-[(E)-3-phenylprop-2-enyl]urea is CN(C/C=C/c1ccccc1)C(=O)NC1COC2(CCCCC2)C1.
What is the InChIKey of 1-methyl-3-(1-oxaspiro[4.5]decan-3-yl)-1-[(E)-3-phenylprop-2-enyl]urea?
The InChIKey is JDROWXQPIHNETG-DHZHZOJOSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-22(14-8-11-17-9-4-2-5-10-17)19(23)21-18-15-20(24-16-18)12-6-3-7-13-20/h2,4-5,8-11,18H,3,6-7,12-16H2,1H3,(H,21,23)/b11-8+.
What are the key properties of 1-methyl-3-(1-oxaspiro[4.5]decan-3-yl)-1-[(E)-3-phenylprop-2-enyl]urea?
1-methyl-3-(1-oxaspiro[4.5]decan-3-yl)-1-[(E)-3-phenylprop-2-enyl]urea has a molecular weight of 328.46 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1-oxaspiro[4.5]decan-3-yl)-1-[(E)-3-phenylprop-2-enyl]urea is sourced from PubChem (CID 121499432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).