(2R)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]oxolane-2-carboxamide

C16H20N2O2 — CID 7248046

IUPAC(2R)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]oxolane-2-carboxamide
SMILESCc1ccc2[nH]cc(CCNC(=O)[C@H]3CCCO3)c2c1
InChIInChI=1S/C16H20N2O2/c1-11-4-5-14-13(9-11)12(10-18-14)6-7-17-16(19)15-3-2-8-20-15/h4-5,9-10,15,18H,2-3,6-8H2,1H3,(H,17,19)/t15-/m1/s1
InChIKeyVDJRJYRGKFMAHY-OAHLLOKOSA-N
MW272.35 g/mol
LogP2.31
Rot. Bonds4

About (2R)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]oxolane-2-carboxamide

(2R)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]oxolane-2-carboxamide (PubChem CID 7248046) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is (2R)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]oxolane-2-carboxamide
PubChem CID7248046
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name(2R)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]oxolane-2-carboxamide
SMILESCc1ccc2[nH]cc(CCNC(=O)[C@H]3CCCO3)c2c1
InChIInChI=1S/C16H20N2O2/c1-11-4-5-14-13(9-11)12(10-18-14)6-7-17-16(19)15-3-2-8-20-15/h4-5,9-10,15,18H,2-3,6-8H2,1H3,(H,17,19)/t15-/m1/s1
InChIKeyVDJRJYRGKFMAHY-OAHLLOKOSA-N
XLogP2.31
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]oxolane-2-carboxamide (CID 7248046) is (2R)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]oxolane-2-carboxamide is Cc1ccc2[nH]cc(CCNC(=O)[C@H]3CCCO3)c2c1.
What is the InChIKey of (2R)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]oxolane-2-carboxamide?
The InChIKey is VDJRJYRGKFMAHY-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11-4-5-14-13(9-11)12(10-18-14)6-7-17-16(19)15-3-2-8-20-15/h4-5,9-10,15,18H,2-3,6-8H2,1H3,(H,17,19)/t15-/m1/s1.
What are the key properties of (2R)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]oxolane-2-carboxamide?
(2R)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]oxolane-2-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 7248046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).