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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Related Compounds

2-morpholin-4-yl-6-phenylpyran-4-one
CID 10923175
sodium;methyl 3-(6-morpholin-4-yl-4-oxopyran-2-yl)benzoate;3-(6-morpholin-4-yl-4-oxopyran-2-yl)benzoate
CID 159903419
2-[4-(6-morpholin-4-yl-4-oxopyran-2-yl)phenyl]benzaldehyde
CID 21106421
4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylphenyl)benzamide
CID 142713208
2-chloro-6-morpholin-4-ylpyran-4-one;ethane
CID 142221667
N-(3-methoxyphenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carboxamide
CID 126471999
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-9,10-dihydroanthracen-2-yl]acetamide
CID 166570954
2-ethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422477
2-chloro-2-fluoro-N-[3-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)phenyl]acetamide
CID 146320046
N-[3-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydro-1-benzothiophen-3-yl)phenyl]benzamide
CID 68775573
2-[(2S)-2,6-dimethylmorpholin-4-yl]-N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-9H-thioxanthen-2-yl]acetamide
CID 89223086
N-(3-acetamidophenyl)morpholine-4-carboxamide
CID 3707113

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).