N-cyclopropyl-2-[(3S)-4-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]morpholin-3-yl]acetamide

C19H24N2O5 — CID 95870461

IUPACN-cyclopropyl-2-[(3S)-4-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]morpholin-3-yl]acetamide
SMILESCC(C)(O)C#Cc1ccc(C(=O)N2CCOC[C@@H]2CC(=O)NC2CC2)o1
InChIInChI=1S/C19H24N2O5/c1-19(2,24)8-7-15-5-6-16(26-15)18(23)21-9-10-25-12-14(21)11-17(22)20-13-3-4-13/h5-6,13-14,24H,3-4,9-12H2,1-2H3,(H,20,22)/t14-/m0/s1
InChIKeyYZKIIAMBEYUOCZ-AWEZNQCLSA-N
MW360.41 g/mol
LogP0.91
Rot. Bonds4

About N-cyclopropyl-2-[(3S)-4-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]morpholin-3-yl]acetamide

N-cyclopropyl-2-[(3S)-4-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]morpholin-3-yl]acetamide (PubChem CID 95870461) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-cyclopropyl-2-[(3S)-4-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]morpholin-3-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(3S)-4-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]morpholin-3-yl]acetamide
PubChem CID95870461
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC NameN-cyclopropyl-2-[(3S)-4-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]morpholin-3-yl]acetamide
SMILESCC(C)(O)C#Cc1ccc(C(=O)N2CCOC[C@@H]2CC(=O)NC2CC2)o1
InChIInChI=1S/C19H24N2O5/c1-19(2,24)8-7-15-5-6-16(26-15)18(23)21-9-10-25-12-14(21)11-17(22)20-13-3-4-13/h5-6,13-14,24H,3-4,9-12H2,1-2H3,(H,20,22)/t14-/m0/s1
InChIKeyYZKIIAMBEYUOCZ-AWEZNQCLSA-N
XLogP0.91
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(3S)-4-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]morpholin-3-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[(3S)-4-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]morpholin-3-yl]acetamide (CID 95870461) is N-cyclopropyl-2-[(3S)-4-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]morpholin-3-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(3S)-4-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]morpholin-3-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(3S)-4-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]morpholin-3-yl]acetamide is CC(C)(O)C#Cc1ccc(C(=O)N2CCOC[C@@H]2CC(=O)NC2CC2)o1.
What is the InChIKey of N-cyclopropyl-2-[(3S)-4-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]morpholin-3-yl]acetamide?
The InChIKey is YZKIIAMBEYUOCZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-19(2,24)8-7-15-5-6-16(26-15)18(23)21-9-10-25-12-14(21)11-17(22)20-13-3-4-13/h5-6,13-14,24H,3-4,9-12H2,1-2H3,(H,20,22)/t14-/m0/s1.
What are the key properties of N-cyclopropyl-2-[(3S)-4-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]morpholin-3-yl]acetamide?
N-cyclopropyl-2-[(3S)-4-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]morpholin-3-yl]acetamide has a molecular weight of 360.41 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(3S)-4-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]morpholin-3-yl]acetamide is sourced from PubChem (CID 95870461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).