1-N-(oxolan-2-ylmethyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide

C18H24N2O3 — CID 108973227

IUPAC1-N-(oxolan-2-ylmethyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
SMILESCC(NC(=O)C1(C(=O)NCC2CCCO2)CC1)c1ccccc1
InChIInChI=1S/C18H24N2O3/c1-13(14-6-3-2-4-7-14)20-17(22)18(9-10-18)16(21)19-12-15-8-5-11-23-15/h2-4,6-7,13,15H,5,8-12H2,1H3,(H,19,21)(H,20,22)
InChIKeyUGZJAHODQFIQNL-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.94
Rot. Bonds6

About 1-N-(oxolan-2-ylmethyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide

1-N-(oxolan-2-ylmethyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108973227) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-N-(oxolan-2-ylmethyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-(oxolan-2-ylmethyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
PubChem CID108973227
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name1-N-(oxolan-2-ylmethyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
SMILESCC(NC(=O)C1(C(=O)NCC2CCCO2)CC1)c1ccccc1
InChIInChI=1S/C18H24N2O3/c1-13(14-6-3-2-4-7-14)20-17(22)18(9-10-18)16(21)19-12-15-8-5-11-23-15/h2-4,6-7,13,15H,5,8-12H2,1H3,(H,19,21)(H,20,22)
InChIKeyUGZJAHODQFIQNL-UHFFFAOYSA-N
XLogP1.94
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-N-(oxolan-2-ylmethyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide 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-N'-benzyl-1-N-(oxolan-2-ylmethyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108973277
N-(oxolan-2-ylmethyl)-3-(1-phenylethylamino)propanamide
CID 109015820
1-N-(oxolan-2-ylmethyl)-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108973334
N-(oxolan-2-ylmethyl)-N'-(2-phenylpropyl)oxamide
CID 17201904
1-N'-benzyl-1-N'-methyl-1-N-(oxolan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108973228
1-N'-(2-bromophenyl)-1-N-(oxolan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108973362
(3R)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122236
(3S)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122235
N-[[(2R)-oxolan-2-yl]methyl]-2-[[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]benzamide
CID 25383704
N-[[(2S)-oxolan-2-yl]methyl]-2-[[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]amino]benzamide
CID 25383699
3-amino-2-methyl-N-(oxolan-2-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119670098
methyl 4-[[1-(oxolan-2-ylmethylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 108973348

Frequently Asked Questions

What is the IUPAC name of 1-N-(oxolan-2-ylmethyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-(oxolan-2-ylmethyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide (CID 108973227) is 1-N-(oxolan-2-ylmethyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-(oxolan-2-ylmethyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-(oxolan-2-ylmethyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide is CC(NC(=O)C1(C(=O)NCC2CCCO2)CC1)c1ccccc1.
What is the InChIKey of 1-N-(oxolan-2-ylmethyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is UGZJAHODQFIQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13(14-6-3-2-4-7-14)20-17(22)18(9-10-18)16(21)19-12-15-8-5-11-23-15/h2-4,6-7,13,15H,5,8-12H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 1-N-(oxolan-2-ylmethyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide?
1-N-(oxolan-2-ylmethyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 316.40 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(oxolan-2-ylmethyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108973227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).