1-N-(4-acetylphenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide

C18H22N2O4 — CID 109133579

IUPAC1-N-(4-acetylphenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CC2C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C18H22N2O4/c1-11(21)12-4-6-13(7-5-12)20-18(23)16-9-15(16)17(22)19-10-14-3-2-8-24-14/h4-7,14-16H,2-3,8-10H2,1H3,(H,19,22)(H,20,23)
InChIKeyCAPWLAMTWDAOHO-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.76
Rot. Bonds6

About 1-N-(4-acetylphenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide

1-N-(4-acetylphenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109133579) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 1-N-(4-acetylphenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-acetylphenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
PubChem CID109133579
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name1-N-(4-acetylphenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CC2C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C18H22N2O4/c1-11(21)12-4-6-13(7-5-12)20-18(23)16-9-15(16)17(22)19-10-14-3-2-8-24-14/h4-7,14-16H,2-3,8-10H2,1H3,(H,19,22)(H,20,23)
InChIKeyCAPWLAMTWDAOHO-UHFFFAOYSA-N
XLogP1.76
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(oxolan-2-ylmethyl)-1-N-(4-piperidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109133590
1-N-(3,4-difluorophenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133630
1-N-(3-methylphenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133527
2-[[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974690
1-N-(2,6-dichlorophenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133618
1-N-(4-acetamidophenyl)-2-N-(4-acetylphenyl)cyclopropane-1,2-dicarboxamide
CID 109143793
N'-(4-acetamidophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7379139
methyl 2-[[2-(oxolan-2-ylmethylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 109133582
[(2R)-oxolan-2-yl]methyl (1S,6R)-6-[(4-acetylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate
CID 42560871
1-[4-(oxan-2-ylmethylamino)phenyl]ethanone
CID 115574155
4-N-(4-fluorophenyl)-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109146968
1-N-(2-methylpropyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109131415

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-acetylphenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(4-acetylphenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide (CID 109133579) is 1-N-(4-acetylphenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(4-acetylphenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(4-acetylphenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide is CC(=O)c1ccc(NC(=O)C2CC2C(=O)NCC2CCCO2)cc1.
What is the InChIKey of 1-N-(4-acetylphenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is CAPWLAMTWDAOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-11(21)12-4-6-13(7-5-12)20-18(23)16-9-15(16)17(22)19-10-14-3-2-8-24-14/h4-7,14-16H,2-3,8-10H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 1-N-(4-acetylphenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide?
1-N-(4-acetylphenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 330.38 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-acetylphenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109133579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).