(3S)-4-cyclopentyl-N-[(2S)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]morpholine-3-carboxamide

C18H28N2O4 — CID 124621109

IUPAC(3S)-4-cyclopentyl-N-[(2S)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]morpholine-3-carboxamide
SMILESCc1ccc([C@@](C)(O)CNC(=O)[C@@H]2COCCN2C2CCCC2)o1
InChIInChI=1S/C18H28N2O4/c1-13-7-8-16(24-13)18(2,22)12-19-17(21)15-11-23-10-9-20(15)14-5-3-4-6-14/h7-8,14-15,22H,3-6,9-12H2,1-2H3,(H,19,21)/t15-,18-/m0/s1
InChIKeyFEVKIWBPVOTIQB-YJBOKZPZSA-N
MW336.43 g/mol
LogP1.56
Rot. Bonds5

About (3S)-4-cyclopentyl-N-[(2S)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]morpholine-3-carboxamide

(3S)-4-cyclopentyl-N-[(2S)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]morpholine-3-carboxamide (PubChem CID 124621109) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is (3S)-4-cyclopentyl-N-[(2S)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(3S)-4-cyclopentyl-N-[(2S)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]morpholine-3-carboxamide
PubChem CID124621109
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name(3S)-4-cyclopentyl-N-[(2S)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]morpholine-3-carboxamide
SMILESCc1ccc([C@@](C)(O)CNC(=O)[C@@H]2COCCN2C2CCCC2)o1
InChIInChI=1S/C18H28N2O4/c1-13-7-8-16(24-13)18(2,22)12-19-17(21)15-11-23-10-9-20(15)14-5-3-4-6-14/h7-8,14-15,22H,3-6,9-12H2,1-2H3,(H,19,21)/t15-,18-/m0/s1
InChIKeyFEVKIWBPVOTIQB-YJBOKZPZSA-N
XLogP1.56
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-cyclopentyl-N-[(2S)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]morpholine-3-carboxamide?
The IUPAC name of (3S)-4-cyclopentyl-N-[(2S)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]morpholine-3-carboxamide (CID 124621109) is (3S)-4-cyclopentyl-N-[(2S)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]morpholine-3-carboxamide.
What is the SMILES notation for (3S)-4-cyclopentyl-N-[(2S)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]morpholine-3-carboxamide?
The canonical SMILES for (3S)-4-cyclopentyl-N-[(2S)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]morpholine-3-carboxamide is Cc1ccc([C@@](C)(O)CNC(=O)[C@@H]2COCCN2C2CCCC2)o1.
What is the InChIKey of (3S)-4-cyclopentyl-N-[(2S)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]morpholine-3-carboxamide?
The InChIKey is FEVKIWBPVOTIQB-YJBOKZPZSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-13-7-8-16(24-13)18(2,22)12-19-17(21)15-11-23-10-9-20(15)14-5-3-4-6-14/h7-8,14-15,22H,3-6,9-12H2,1-2H3,(H,19,21)/t15-,18-/m0/s1.
What are the key properties of (3S)-4-cyclopentyl-N-[(2S)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]morpholine-3-carboxamide?
(3S)-4-cyclopentyl-N-[(2S)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]morpholine-3-carboxamide has a molecular weight of 336.43 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-cyclopentyl-N-[(2S)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]morpholine-3-carboxamide is sourced from PubChem (CID 124621109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).