(2S)-N-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-methyloxolane-2-carboxamide

C17H22N2O3 — CID 51498983

IUPAC(2S)-N-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-methyloxolane-2-carboxamide
SMILESCC(=O)N1c2ccc(NC(=O)[C@]3(C)CCCO3)cc2C[C@H]1C
InChIInChI=1S/C17H22N2O3/c1-11-9-13-10-14(5-6-15(13)19(11)12(2)20)18-16(21)17(3)7-4-8-22-17/h5-6,10-11H,4,7-9H2,1-3H3,(H,18,21)/t11-,17+/m1/s1
InChIKeyVGCXJZCRHUKGIH-DIFFPNOSSA-N
MW302.37 g/mol
LogP2.49
Rot. Bonds2

About (2S)-N-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-methyloxolane-2-carboxamide

(2S)-N-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-methyloxolane-2-carboxamide (PubChem CID 51498983) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is (2S)-N-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-methyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-methyloxolane-2-carboxamide
PubChem CID51498983
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name(2S)-N-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-methyloxolane-2-carboxamide
SMILESCC(=O)N1c2ccc(NC(=O)[C@]3(C)CCCO3)cc2C[C@H]1C
InChIInChI=1S/C17H22N2O3/c1-11-9-13-10-14(5-6-15(13)19(11)12(2)20)18-16(21)17(3)7-4-8-22-17/h5-6,10-11H,4,7-9H2,1-3H3,(H,18,21)/t11-,17+/m1/s1
InChIKeyVGCXJZCRHUKGIH-DIFFPNOSSA-N
XLogP2.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-methyloxolane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-methyloxolane-2-carboxamide?
The IUPAC name of (2S)-N-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-methyloxolane-2-carboxamide (CID 51498983) is (2S)-N-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-methyloxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-methyloxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-methyloxolane-2-carboxamide is CC(=O)N1c2ccc(NC(=O)[C@]3(C)CCCO3)cc2C[C@H]1C.
What is the InChIKey of (2S)-N-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-methyloxolane-2-carboxamide?
The InChIKey is VGCXJZCRHUKGIH-DIFFPNOSSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-11-9-13-10-14(5-6-15(13)19(11)12(2)20)18-16(21)17(3)7-4-8-22-17/h5-6,10-11H,4,7-9H2,1-3H3,(H,18,21)/t11-,17+/m1/s1.
What are the key properties of (2S)-N-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-methyloxolane-2-carboxamide?
(2S)-N-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-methyloxolane-2-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-methyloxolane-2-carboxamide is sourced from PubChem (CID 51498983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).