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

C18H24N2O3 — CID 109133540

IUPAC1-N-ethyl-2-N-(oxolan-2-ylmethyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
SMILESCCN(C(=O)C1CC1C(=O)NCC1CCCO1)c1ccccc1
InChIInChI=1S/C18H24N2O3/c1-2-20(13-7-4-3-5-8-13)18(22)16-11-15(16)17(21)19-12-14-9-6-10-23-14/h3-5,7-8,14-16H,2,6,9-12H2,1H3,(H,19,21)
InChIKeyORIVLYCSJDILKH-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.97
Rot. Bonds6

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

1-N-ethyl-2-N-(oxolan-2-ylmethyl)-1-N-phenylcyclopropane-1,2-dicarboxamide (PubChem CID 109133540) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-N-ethyl-2-N-(oxolan-2-ylmethyl)-1-N-phenylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-ethyl-2-N-(oxolan-2-ylmethyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
PubChem CID109133540
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name1-N-ethyl-2-N-(oxolan-2-ylmethyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
SMILESCCN(C(=O)C1CC1C(=O)NCC1CCCO1)c1ccccc1
InChIInChI=1S/C18H24N2O3/c1-2-20(13-7-4-3-5-8-13)18(22)16-11-15(16)17(21)19-12-14-9-6-10-23-14/h3-5,7-8,14-16H,2,6,9-12H2,1H3,(H,19,21)
InChIKeyORIVLYCSJDILKH-UHFFFAOYSA-N
XLogP1.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-benzyl-2-N-(oxolan-2-ylmethyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109133594
2-N-(oxolan-2-ylmethyl)-1-N,1-N-dipropylcyclopropane-1,2-dicarboxamide
CID 109133520
4-N-methyl-1-N-(oxolan-2-ylmethyl)-4-N-phenylcyclohexane-1,4-dicarboxamide
CID 109146947
cis-(1R,2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylcyclopropane-1-carboxamide
CID 41098263
1-N-[4-(diethylamino)-2-methylphenyl]-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133622
2-(4-benzylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
CID 109133486
methyl 2-[[2-(oxolan-2-ylmethylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 109133582
1-N-(2,6-dichlorophenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133618
1-N-(4-acetylphenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133579
1-N-(3-methylphenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133527
N-[[(2R)-oxolan-2-yl]methyl]-N',N'-diphenylbutanediamide
CID 7324082
1-N-ethyl-2-N-(2-ethylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109141985

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-2-N-(oxolan-2-ylmethyl)-1-N-phenylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-ethyl-2-N-(oxolan-2-ylmethyl)-1-N-phenylcyclopropane-1,2-dicarboxamide (CID 109133540) is 1-N-ethyl-2-N-(oxolan-2-ylmethyl)-1-N-phenylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-ethyl-2-N-(oxolan-2-ylmethyl)-1-N-phenylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-ethyl-2-N-(oxolan-2-ylmethyl)-1-N-phenylcyclopropane-1,2-dicarboxamide is CCN(C(=O)C1CC1C(=O)NCC1CCCO1)c1ccccc1.
What is the InChIKey of 1-N-ethyl-2-N-(oxolan-2-ylmethyl)-1-N-phenylcyclopropane-1,2-dicarboxamide?
The InChIKey is ORIVLYCSJDILKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-2-20(13-7-4-3-5-8-13)18(22)16-11-15(16)17(21)19-12-14-9-6-10-23-14/h3-5,7-8,14-16H,2,6,9-12H2,1H3,(H,19,21).
What are the key properties of 1-N-ethyl-2-N-(oxolan-2-ylmethyl)-1-N-phenylcyclopropane-1,2-dicarboxamide?
1-N-ethyl-2-N-(oxolan-2-ylmethyl)-1-N-phenylcyclopropane-1,2-dicarboxamide has a molecular weight of 316.40 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-2-N-(oxolan-2-ylmethyl)-1-N-phenylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109133540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).