2-N-(oxolan-2-ylmethyl)-1-N,1-N-dipropylcyclopropane-1,2-dicarboxamide

C16H28N2O3 — CID 109133520

IUPAC2-N-(oxolan-2-ylmethyl)-1-N,1-N-dipropylcyclopropane-1,2-dicarboxamide
SMILESCCCN(CCC)C(=O)C1CC1C(=O)NCC1CCCO1
InChIInChI=1S/C16H28N2O3/c1-3-7-18(8-4-2)16(20)14-10-13(14)15(19)17-11-12-6-5-9-21-12/h12-14H,3-11H2,1-2H3,(H,17,19)
InChIKeyCTPSECZLYFIQCD-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.57
Rot. Bonds8

About 2-N-(oxolan-2-ylmethyl)-1-N,1-N-dipropylcyclopropane-1,2-dicarboxamide

2-N-(oxolan-2-ylmethyl)-1-N,1-N-dipropylcyclopropane-1,2-dicarboxamide (PubChem CID 109133520) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-N-(oxolan-2-ylmethyl)-1-N,1-N-dipropylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(oxolan-2-ylmethyl)-1-N,1-N-dipropylcyclopropane-1,2-dicarboxamide
PubChem CID109133520
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-N-(oxolan-2-ylmethyl)-1-N,1-N-dipropylcyclopropane-1,2-dicarboxamide
SMILESCCCN(CCC)C(=O)C1CC1C(=O)NCC1CCCO1
InChIInChI=1S/C16H28N2O3/c1-3-7-18(8-4-2)16(20)14-10-13(14)15(19)17-11-12-6-5-9-21-12/h12-14H,3-11H2,1-2H3,(H,17,19)
InChIKeyCTPSECZLYFIQCD-UHFFFAOYSA-N
XLogP1.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(2-methylpropyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109131415
1-N-ethyl-2-N-(oxolan-2-ylmethyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109133540
3-[acetyl(propyl)amino]-N-(oxolan-2-ylmethyl)propanamide
CID 113114927
2-amino-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
CID 114995836
1-N-benzyl-2-N-(oxolan-2-ylmethyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109133594
1-N-(4-acetylphenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133579
2-(oxolan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 3119934
ethyl 4-[[2-(oxolan-2-ylmethylcarbamoyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate
CID 109133496
1-N-[4-(diethylamino)-2-methylphenyl]-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133622
N'-[[(2R)-oxolan-2-yl]methyl]-N-propyloxamide
CID 2290769
N',N'-diethyl-N-(oxolan-2-ylmethyl)propanediamide
CID 108943661
1-N-(3-methylphenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133527

Frequently Asked Questions

What is the IUPAC name of 2-N-(oxolan-2-ylmethyl)-1-N,1-N-dipropylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-(oxolan-2-ylmethyl)-1-N,1-N-dipropylcyclopropane-1,2-dicarboxamide (CID 109133520) is 2-N-(oxolan-2-ylmethyl)-1-N,1-N-dipropylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(oxolan-2-ylmethyl)-1-N,1-N-dipropylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-(oxolan-2-ylmethyl)-1-N,1-N-dipropylcyclopropane-1,2-dicarboxamide is CCCN(CCC)C(=O)C1CC1C(=O)NCC1CCCO1.
What is the InChIKey of 2-N-(oxolan-2-ylmethyl)-1-N,1-N-dipropylcyclopropane-1,2-dicarboxamide?
The InChIKey is CTPSECZLYFIQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-3-7-18(8-4-2)16(20)14-10-13(14)15(19)17-11-12-6-5-9-21-12/h12-14H,3-11H2,1-2H3,(H,17,19).
What are the key properties of 2-N-(oxolan-2-ylmethyl)-1-N,1-N-dipropylcyclopropane-1,2-dicarboxamide?
2-N-(oxolan-2-ylmethyl)-1-N,1-N-dipropylcyclopropane-1,2-dicarboxamide has a molecular weight of 296.41 g/mol, XLogP of 1.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(oxolan-2-ylmethyl)-1-N,1-N-dipropylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109133520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).