1-N-benzyl-2-N-(oxolan-2-ylmethyl)-1-N-phenylcyclopropane-1,2-dicarboxamide

C23H26N2O3 — CID 109133594

IUPAC1-N-benzyl-2-N-(oxolan-2-ylmethyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
SMILESO=C(NCC1CCCO1)C1CC1C(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H26N2O3/c26-22(24-15-19-12-7-13-28-19)20-14-21(20)23(27)25(18-10-5-2-6-11-18)16-17-8-3-1-4-9-17/h1-6,8-11,19-21H,7,12-16H2,(H,24,26)
InChIKeyTWSYJPJBIODVFJ-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.15
Rot. Bonds7

About 1-N-benzyl-2-N-(oxolan-2-ylmethyl)-1-N-phenylcyclopropane-1,2-dicarboxamide

1-N-benzyl-2-N-(oxolan-2-ylmethyl)-1-N-phenylcyclopropane-1,2-dicarboxamide (PubChem CID 109133594) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 1-N-benzyl-2-N-(oxolan-2-ylmethyl)-1-N-phenylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-2-N-(oxolan-2-ylmethyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
PubChem CID109133594
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name1-N-benzyl-2-N-(oxolan-2-ylmethyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
SMILESO=C(NCC1CCCO1)C1CC1C(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H26N2O3/c26-22(24-15-19-12-7-13-28-19)20-14-21(20)23(27)25(18-10-5-2-6-11-18)16-17-8-3-1-4-9-17/h1-6,8-11,19-21H,7,12-16H2,(H,24,26)
InChIKeyTWSYJPJBIODVFJ-UHFFFAOYSA-N
XLogP3.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-ethyl-2-N-(oxolan-2-ylmethyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109133540
1-N-benzyl-1-N-phenyl-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109137430
2-(4-benzylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
CID 109133486
cis-(1R,2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylcyclopropane-1-carboxamide
CID 41098263
N-benzyl-6-(oxolan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide
CID 109343842
2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(oxolan-2-ylmethyl)acetamide
CID 42852868
1-N-benzyl-2-N-(2,6-dimethylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109141876
N'-benzyl-N'-methyl-N-(oxolan-2-ylmethyl)propanediamide
CID 108943617
N-benzyl-2,4-dichloro-N-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]phenyl]benzamide
CID 42852869
4-N-methyl-1-N-(oxolan-2-ylmethyl)-4-N-phenylcyclohexane-1,4-dicarboxamide
CID 109146947
N'-benzyl-N-(oxolan-2-ylmethyl)oxamide
CID 21211581
2-N-(oxolan-2-ylmethyl)-1-N,1-N-dipropylcyclopropane-1,2-dicarboxamide
CID 109133520

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-2-N-(oxolan-2-ylmethyl)-1-N-phenylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-benzyl-2-N-(oxolan-2-ylmethyl)-1-N-phenylcyclopropane-1,2-dicarboxamide (CID 109133594) is 1-N-benzyl-2-N-(oxolan-2-ylmethyl)-1-N-phenylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-2-N-(oxolan-2-ylmethyl)-1-N-phenylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-benzyl-2-N-(oxolan-2-ylmethyl)-1-N-phenylcyclopropane-1,2-dicarboxamide is O=C(NCC1CCCO1)C1CC1C(=O)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1-N-benzyl-2-N-(oxolan-2-ylmethyl)-1-N-phenylcyclopropane-1,2-dicarboxamide?
The InChIKey is TWSYJPJBIODVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c26-22(24-15-19-12-7-13-28-19)20-14-21(20)23(27)25(18-10-5-2-6-11-18)16-17-8-3-1-4-9-17/h1-6,8-11,19-21H,7,12-16H2,(H,24,26).
What are the key properties of 1-N-benzyl-2-N-(oxolan-2-ylmethyl)-1-N-phenylcyclopropane-1,2-dicarboxamide?
1-N-benzyl-2-N-(oxolan-2-ylmethyl)-1-N-phenylcyclopropane-1,2-dicarboxamide has a molecular weight of 378.47 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-2-N-(oxolan-2-ylmethyl)-1-N-phenylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109133594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).