N,6-dimethyl-N-(4-morpholin-4-ylbutyl)-4-oxopyran-2-carboxamide

C16H24N2O4 — CID 77089144

IUPACN,6-dimethyl-N-(4-morpholin-4-ylbutyl)-4-oxopyran-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)N(C)CCCCN2CCOCC2)o1
InChIInChI=1S/C16H24N2O4/c1-13-11-14(19)12-15(22-13)16(20)17(2)5-3-4-6-18-7-9-21-10-8-18/h11-12H,3-10H2,1-2H3
InChIKeyRFWUNGRSMPULMV-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.13
Rot. Bonds6

About N,6-dimethyl-N-(4-morpholin-4-ylbutyl)-4-oxopyran-2-carboxamide

N,6-dimethyl-N-(4-morpholin-4-ylbutyl)-4-oxopyran-2-carboxamide (PubChem CID 77089144) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is N,6-dimethyl-N-(4-morpholin-4-ylbutyl)-4-oxopyran-2-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-N-(4-morpholin-4-ylbutyl)-4-oxopyran-2-carboxamide
PubChem CID77089144
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC NameN,6-dimethyl-N-(4-morpholin-4-ylbutyl)-4-oxopyran-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)N(C)CCCCN2CCOCC2)o1
InChIInChI=1S/C16H24N2O4/c1-13-11-14(19)12-15(22-13)16(20)17(2)5-3-4-6-18-7-9-21-10-8-18/h11-12H,3-10H2,1-2H3
InChIKeyRFWUNGRSMPULMV-UHFFFAOYSA-N
XLogP1.13
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-4-oxopent-2-enyl]morpholin-3-one
CID 118400708
(4-ethylpiperazin-1-yl)-(4H-pyran-2-yl)methanone
CID 142266447
(4-methylpiperazin-1-yl)-(4H-pyran-2-yl)methanone
CID 143290782
2-((4-oxo-6-(piperidin-1-ylmethyl)-4H-pyran-3-yl)oxy)acetamide
CID 60175723
2-((6-(morpholinomethyl)-4-oxo-4H-pyran-3-yl)oxy)acetamide
CID 60177213
N,N-dimethyl-4-{[(6-methyl-4-oxo-4H-pyran-3-yl)oxy]acetyl}piperazine-1-sulfonamide
CID 60180895
2-{[(3S)-3-ethylmorpholin-4-yl]carbonyl}-5-methoxy-4H-pyran-4-one
CID 70773826
1-[4-(3,4-dihydro-2H-pyran-6-carbonyl)piperazin-1-yl]-2-methoxyethanone
CID 71871542
3,4-dihydro-2H-pyran-6-yl-(2-methylmorpholin-4-yl)methanone
CID 71925558
3,4-dihydro-2H-pyran-6-yl-(2,6-dimethylmorpholin-4-yl)methanone
CID 71926687
N-[4-(2,6-dimethylmorpholin-4-yl)butyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 71973242
2-{[4-(isopropoxymethyl)piperidin-1-yl]carbonyl}-6-methyl-4H-pyran-4-one
CID 77096700

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-N-(4-morpholin-4-ylbutyl)-4-oxopyran-2-carboxamide?
The IUPAC name of N,6-dimethyl-N-(4-morpholin-4-ylbutyl)-4-oxopyran-2-carboxamide (CID 77089144) is N,6-dimethyl-N-(4-morpholin-4-ylbutyl)-4-oxopyran-2-carboxamide.
What is the SMILES notation for N,6-dimethyl-N-(4-morpholin-4-ylbutyl)-4-oxopyran-2-carboxamide?
The canonical SMILES for N,6-dimethyl-N-(4-morpholin-4-ylbutyl)-4-oxopyran-2-carboxamide is Cc1cc(=O)cc(C(=O)N(C)CCCCN2CCOCC2)o1.
What is the InChIKey of N,6-dimethyl-N-(4-morpholin-4-ylbutyl)-4-oxopyran-2-carboxamide?
The InChIKey is RFWUNGRSMPULMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-13-11-14(19)12-15(22-13)16(20)17(2)5-3-4-6-18-7-9-21-10-8-18/h11-12H,3-10H2,1-2H3.
What are the key properties of N,6-dimethyl-N-(4-morpholin-4-ylbutyl)-4-oxopyran-2-carboxamide?
N,6-dimethyl-N-(4-morpholin-4-ylbutyl)-4-oxopyran-2-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 1.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-N-(4-morpholin-4-ylbutyl)-4-oxopyran-2-carboxamide is sourced from PubChem (CID 77089144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).