(2S)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(5-methylfuran-2-yl)morpholine-4-carboxamide

C19H22N2O4 — CID 97242801

IUPAC(2S)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(5-methylfuran-2-yl)morpholine-4-carboxamide
SMILESCc1ccc([C@@H]2CN(C(=O)N[C@@H]3CCc4c(O)cccc43)CCO2)o1
InChIInChI=1S/C19H22N2O4/c1-12-5-8-17(25-12)18-11-21(9-10-24-18)19(23)20-15-7-6-14-13(15)3-2-4-16(14)22/h2-5,8,15,18,22H,6-7,9-11H2,1H3,(H,20,23)/t15-,18+/m1/s1
InChIKeyPZPXJUFOKRWFAI-QAPCUYQASA-N
MW342.40 g/mol
LogP3.06
Rot. Bonds2

About (2S)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(5-methylfuran-2-yl)morpholine-4-carboxamide

(2S)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(5-methylfuran-2-yl)morpholine-4-carboxamide (PubChem CID 97242801) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is (2S)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(5-methylfuran-2-yl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(5-methylfuran-2-yl)morpholine-4-carboxamide
PubChem CID97242801
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name(2S)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(5-methylfuran-2-yl)morpholine-4-carboxamide
SMILESCc1ccc([C@@H]2CN(C(=O)N[C@@H]3CCc4c(O)cccc43)CCO2)o1
InChIInChI=1S/C19H22N2O4/c1-12-5-8-17(25-12)18-11-21(9-10-24-18)19(23)20-15-7-6-14-13(15)3-2-4-16(14)22/h2-5,8,15,18,22H,6-7,9-11H2,1H3,(H,20,23)/t15-,18+/m1/s1
InChIKeyPZPXJUFOKRWFAI-QAPCUYQASA-N
XLogP3.06
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(5-methylfuran-2-yl)morpholine-4-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-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(5-methylfuran-2-yl)morpholine-4-carboxamide?
The IUPAC name of (2S)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(5-methylfuran-2-yl)morpholine-4-carboxamide (CID 97242801) is (2S)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(5-methylfuran-2-yl)morpholine-4-carboxamide.
What is the SMILES notation for (2S)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(5-methylfuran-2-yl)morpholine-4-carboxamide?
The canonical SMILES for (2S)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(5-methylfuran-2-yl)morpholine-4-carboxamide is Cc1ccc([C@@H]2CN(C(=O)N[C@@H]3CCc4c(O)cccc43)CCO2)o1.
What is the InChIKey of (2S)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(5-methylfuran-2-yl)morpholine-4-carboxamide?
The InChIKey is PZPXJUFOKRWFAI-QAPCUYQASA-N. The full InChI is InChI=1S/C19H22N2O4/c1-12-5-8-17(25-12)18-11-21(9-10-24-18)19(23)20-15-7-6-14-13(15)3-2-4-16(14)22/h2-5,8,15,18,22H,6-7,9-11H2,1H3,(H,20,23)/t15-,18+/m1/s1.
What are the key properties of (2S)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(5-methylfuran-2-yl)morpholine-4-carboxamide?
(2S)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(5-methylfuran-2-yl)morpholine-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(5-methylfuran-2-yl)morpholine-4-carboxamide is sourced from PubChem (CID 97242801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).