prop-1-en-2-yl N-[3-(6-morpholin-4-yl-4-oxopyran-2-yl)phenyl]carbamate

C19H20N2O5 — CID 89093175

IUPACprop-1-en-2-yl N-[3-(6-morpholin-4-yl-4-oxopyran-2-yl)phenyl]carbamate
SMILESC=C(C)OC(=O)Nc1cccc(-c2cc(=O)cc(N3CCOCC3)o2)c1
InChIInChI=1S/C19H20N2O5/c1-13(2)25-19(23)20-15-5-3-4-14(10-15)17-11-16(22)12-18(26-17)21-6-8-24-9-7-21/h3-5,10-12H,1,6-9H2,2H3,(H,20,23)
InChIKeyGSZYSWWDNSYLEH-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.23
Rot. Bonds4

About prop-1-en-2-yl N-[3-(6-morpholin-4-yl-4-oxopyran-2-yl)phenyl]carbamate

prop-1-en-2-yl N-[3-(6-morpholin-4-yl-4-oxopyran-2-yl)phenyl]carbamate (PubChem CID 89093175) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is prop-1-en-2-yl N-[3-(6-morpholin-4-yl-4-oxopyran-2-yl)phenyl]carbamate.

Molecular Properties

Compound Nameprop-1-en-2-yl N-[3-(6-morpholin-4-yl-4-oxopyran-2-yl)phenyl]carbamate
PubChem CID89093175
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Nameprop-1-en-2-yl N-[3-(6-morpholin-4-yl-4-oxopyran-2-yl)phenyl]carbamate
SMILESC=C(C)OC(=O)Nc1cccc(-c2cc(=O)cc(N3CCOCC3)o2)c1
InChIInChI=1S/C19H20N2O5/c1-13(2)25-19(23)20-15-5-3-4-14(10-15)17-11-16(22)12-18(26-17)21-6-8-24-9-7-21/h3-5,10-12H,1,6-9H2,2H3,(H,20,23)
InChIKeyGSZYSWWDNSYLEH-UHFFFAOYSA-N
XLogP3.23
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-1-en-2-yl N-[3-(6-morpholin-4-yl-4-oxopyran-2-yl)phenyl]carbamate?
The IUPAC name of prop-1-en-2-yl N-[3-(6-morpholin-4-yl-4-oxopyran-2-yl)phenyl]carbamate (CID 89093175) is prop-1-en-2-yl N-[3-(6-morpholin-4-yl-4-oxopyran-2-yl)phenyl]carbamate.
What is the SMILES notation for prop-1-en-2-yl N-[3-(6-morpholin-4-yl-4-oxopyran-2-yl)phenyl]carbamate?
The canonical SMILES for prop-1-en-2-yl N-[3-(6-morpholin-4-yl-4-oxopyran-2-yl)phenyl]carbamate is C=C(C)OC(=O)Nc1cccc(-c2cc(=O)cc(N3CCOCC3)o2)c1.
What is the InChIKey of prop-1-en-2-yl N-[3-(6-morpholin-4-yl-4-oxopyran-2-yl)phenyl]carbamate?
The InChIKey is GSZYSWWDNSYLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-13(2)25-19(23)20-15-5-3-4-14(10-15)17-11-16(22)12-18(26-17)21-6-8-24-9-7-21/h3-5,10-12H,1,6-9H2,2H3,(H,20,23).
What are the key properties of prop-1-en-2-yl N-[3-(6-morpholin-4-yl-4-oxopyran-2-yl)phenyl]carbamate?
prop-1-en-2-yl N-[3-(6-morpholin-4-yl-4-oxopyran-2-yl)phenyl]carbamate has a molecular weight of 356.38 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-yl N-[3-(6-morpholin-4-yl-4-oxopyran-2-yl)phenyl]carbamate is sourced from PubChem (CID 89093175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).