(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

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Related Compounds

(2S)-N-[(1R,2R)-2-methoxycyclohexyl]-2-(5-methylfuran-2-yl)morpholine-4-carboxamide
CID 98874217
2-(5-methylfuran-2-yl)-N-(thian-3-yl)morpholine-4-carboxamide
CID 75389185
(2R)-2-(5-methylfuran-2-yl)-N-[3-[(R)-methylsulfinyl]phenyl]morpholine-4-carboxamide
CID 97242640
1-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122003795
(2R)-N-(2-methoxy-3-pyridinyl)-2-(5-methylfuran-2-yl)morpholine-4-carboxamide
CID 124603422
N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-1,1-dioxo-1,4-thiazepane-4-carboxamide
CID 127713950
1-[1-(5-methylfuran-2-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol
CID 43685026
8-chloro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 136547243
(2S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 124873671
(2S)-2-(5-methylfuran-2-yl)-N-[(3-nitrophenyl)methyl]morpholine-4-carboxamide
CID 97071301
(2R)-2-(5-methylfuran-2-yl)-N-[(3-nitrophenyl)methyl]morpholine-4-carboxamide
CID 97071302
(2S)-2-(5-methylfuran-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboxamide
CID 97242314

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).