1-N'-benzyl-1-N-(oxolan-2-ylmethyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide

C20H28N2O3 — CID 108973277

IUPAC1-N'-benzyl-1-N-(oxolan-2-ylmethyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C1(C(=O)NCC2CCCO2)CC1
InChIInChI=1S/C20H28N2O3/c1-15(2)22(14-16-7-4-3-5-8-16)19(24)20(10-11-20)18(23)21-13-17-9-6-12-25-17/h3-5,7-8,15,17H,6,9-14H2,1-2H3,(H,21,23)
InChIKeySCDNYOSCVDNWRJ-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.50
Rot. Bonds7

About 1-N'-benzyl-1-N-(oxolan-2-ylmethyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide

1-N'-benzyl-1-N-(oxolan-2-ylmethyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide (PubChem CID 108973277) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is 1-N'-benzyl-1-N-(oxolan-2-ylmethyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-benzyl-1-N-(oxolan-2-ylmethyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
PubChem CID108973277
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name1-N'-benzyl-1-N-(oxolan-2-ylmethyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C1(C(=O)NCC2CCCO2)CC1
InChIInChI=1S/C20H28N2O3/c1-15(2)22(14-16-7-4-3-5-8-16)19(24)20(10-11-20)18(23)21-13-17-9-6-12-25-17/h3-5,7-8,15,17H,6,9-14H2,1-2H3,(H,21,23)
InChIKeySCDNYOSCVDNWRJ-UHFFFAOYSA-N
XLogP2.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N'-benzyl-1-N'-methyl-1-N-(oxolan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108973228
1-N'-benzyl-1-N-(2-phenylethyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108977111
1-N-(oxolan-2-ylmethyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108973227
1-N'-benzyl-1-N-cyclohexyl-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108972199
1-N'-benzyl-1-N-[(4-methylphenyl)methyl]-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108975241
N-benzyl-5-(oxolan-2-ylmethylamino)-N-propan-2-ylpyridine-2-carboxamide
CID 109185160
6-[benzyl(propan-2-yl)amino]-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
CID 109115031
1-N'-benzyl-1-N'-propan-2-yl-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108979580
N-[(4-fluorophenyl)methyl]-2-methyl-N-[1-oxo-1-(oxolan-2-ylmethylamino)-3-phenylpropan-2-yl]propanamide
CID 133215130
1-N'-methyl-1-N-(oxolan-2-ylmethyl)-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108973247
N-benzyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]butanamide
CID 133237090
1-N-(oxolan-2-ylmethyl)-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108973334

Frequently Asked Questions

What is the IUPAC name of 1-N'-benzyl-1-N-(oxolan-2-ylmethyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-benzyl-1-N-(oxolan-2-ylmethyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide (CID 108973277) is 1-N'-benzyl-1-N-(oxolan-2-ylmethyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-benzyl-1-N-(oxolan-2-ylmethyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-benzyl-1-N-(oxolan-2-ylmethyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide is CC(C)N(Cc1ccccc1)C(=O)C1(C(=O)NCC2CCCO2)CC1.
What is the InChIKey of 1-N'-benzyl-1-N-(oxolan-2-ylmethyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide?
The InChIKey is SCDNYOSCVDNWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-15(2)22(14-16-7-4-3-5-8-16)19(24)20(10-11-20)18(23)21-13-17-9-6-12-25-17/h3-5,7-8,15,17H,6,9-14H2,1-2H3,(H,21,23).
What are the key properties of 1-N'-benzyl-1-N-(oxolan-2-ylmethyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide?
1-N'-benzyl-1-N-(oxolan-2-ylmethyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide has a molecular weight of 344.45 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-benzyl-1-N-(oxolan-2-ylmethyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108973277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).