4-methyl-N-(2-morpholin-2-ylethyl)-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide

C21H26N2O4 — CID 170511858

IUPAC4-methyl-N-(2-morpholin-2-ylethyl)-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
SMILESCc1cc(CCc2ccccc2)oc(=O)c1C(=O)NCCC1CNCCO1
InChIInChI=1S/C21H26N2O4/c1-15-13-17(8-7-16-5-3-2-4-6-16)27-21(25)19(15)20(24)23-10-9-18-14-22-11-12-26-18/h2-6,13,18,22H,7-12,14H2,1H3,(H,23,24)
InChIKeyUBYPWVXLDUDPGY-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.84
Rot. Bonds7

About 4-methyl-N-(2-morpholin-2-ylethyl)-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide

4-methyl-N-(2-morpholin-2-ylethyl)-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide (PubChem CID 170511858) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 4-methyl-N-(2-morpholin-2-ylethyl)-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-morpholin-2-ylethyl)-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
PubChem CID170511858
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name4-methyl-N-(2-morpholin-2-ylethyl)-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
SMILESCc1cc(CCc2ccccc2)oc(=O)c1C(=O)NCCC1CNCCO1
InChIInChI=1S/C21H26N2O4/c1-15-13-17(8-7-16-5-3-2-4-6-16)27-21(25)19(15)20(24)23-10-9-18-14-22-11-12-26-18/h2-6,13,18,22H,7-12,14H2,1H3,(H,23,24)
InChIKeyUBYPWVXLDUDPGY-UHFFFAOYSA-N
XLogP1.84
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-6-(2-phenylethyl)pyran-3-carboxamide
CID 170505466
4-methyl-2-oxo-N-(oxolan-2-ylmethyl)-6-(2-phenylethyl)pyran-3-carboxamide
CID 169412806
4-methyl-N-(2-morpholin-3-ylethyl)-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide;hydrochloride
CID 171711825
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
CID 170512129
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
CID 170505989
N-[(2R)-2-(dimethylamino)propyl]-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
CID 170509345
methyl 4-[[4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carbonyl]amino]cyclohexane-1-carboxylate
CID 170504233
N-cyclopropyl-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
CID 169412250
N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
CID 170507657
6-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxo-N-[(3S)-pyrrolidin-3-yl]pyran-3-carboxamide;hydrochloride
CID 171708901
2-morpholin-2-yl-N-(2-phenylethyl)acetamide
CID 66434342
4-methyl-2-oxo-6-(3-phenylpropyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyran-3-carboxamide
CID 170502514

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-morpholin-2-ylethyl)-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide?
The IUPAC name of 4-methyl-N-(2-morpholin-2-ylethyl)-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide (CID 170511858) is 4-methyl-N-(2-morpholin-2-ylethyl)-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-morpholin-2-ylethyl)-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide?
The canonical SMILES for 4-methyl-N-(2-morpholin-2-ylethyl)-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide is Cc1cc(CCc2ccccc2)oc(=O)c1C(=O)NCCC1CNCCO1.
What is the InChIKey of 4-methyl-N-(2-morpholin-2-ylethyl)-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide?
The InChIKey is UBYPWVXLDUDPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-15-13-17(8-7-16-5-3-2-4-6-16)27-21(25)19(15)20(24)23-10-9-18-14-22-11-12-26-18/h2-6,13,18,22H,7-12,14H2,1H3,(H,23,24).
What are the key properties of 4-methyl-N-(2-morpholin-2-ylethyl)-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide?
4-methyl-N-(2-morpholin-2-ylethyl)-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-morpholin-2-ylethyl)-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide is sourced from PubChem (CID 170511858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).