3-(cyclopropanecarbonylamino)-N-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]benzamide

C17H20N2O4 — CID 97241328

IUPAC3-(cyclopropanecarbonylamino)-N-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]benzamide
SMILESCC1(C)C[C@@H](NC(=O)c2cccc(NC(=O)C3CC3)c2)C(=O)O1
InChIInChI=1S/C17H20N2O4/c1-17(2)9-13(16(22)23-17)19-15(21)11-4-3-5-12(8-11)18-14(20)10-6-7-10/h3-5,8,10,13H,6-7,9H2,1-2H3,(H,18,20)(H,19,21)/t13-/m1/s1
InChIKeyHNBVNOVJSGBHIP-CYBMUJFWSA-N
MW316.36 g/mol
LogP1.86
Rot. Bonds4

About 3-(cyclopropanecarbonylamino)-N-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]benzamide

3-(cyclopropanecarbonylamino)-N-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]benzamide (PubChem CID 97241328) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-N-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]benzamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-N-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]benzamide
PubChem CID97241328
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name3-(cyclopropanecarbonylamino)-N-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]benzamide
SMILESCC1(C)C[C@@H](NC(=O)c2cccc(NC(=O)C3CC3)c2)C(=O)O1
InChIInChI=1S/C17H20N2O4/c1-17(2)9-13(16(22)23-17)19-15(21)11-4-3-5-12(8-11)18-14(20)10-6-7-10/h3-5,8,10,13H,6-7,9H2,1-2H3,(H,18,20)(H,19,21)/t13-/m1/s1
InChIKeyHNBVNOVJSGBHIP-CYBMUJFWSA-N
XLogP1.86
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-N-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]benzamide?
The IUPAC name of 3-(cyclopropanecarbonylamino)-N-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]benzamide (CID 97241328) is 3-(cyclopropanecarbonylamino)-N-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]benzamide.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-N-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]benzamide?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-N-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]benzamide is CC1(C)C[C@@H](NC(=O)c2cccc(NC(=O)C3CC3)c2)C(=O)O1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-N-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]benzamide?
The InChIKey is HNBVNOVJSGBHIP-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-17(2)9-13(16(22)23-17)19-15(21)11-4-3-5-12(8-11)18-14(20)10-6-7-10/h3-5,8,10,13H,6-7,9H2,1-2H3,(H,18,20)(H,19,21)/t13-/m1/s1.
What are the key properties of 3-(cyclopropanecarbonylamino)-N-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]benzamide?
3-(cyclopropanecarbonylamino)-N-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]benzamide has a molecular weight of 316.36 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-N-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]benzamide is sourced from PubChem (CID 97241328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).