2-ethyl-6-methyl-N-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]morpholine-4-carboxamide

C18H29N3O3 — CID 71876586

IUPAC2-ethyl-6-methyl-N-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]morpholine-4-carboxamide
SMILESCCC1CN(C(=O)NCCCCn2c(C)cccc2=O)CC(C)O1
InChIInChI=1S/C18H29N3O3/c1-4-16-13-20(12-15(3)24-16)18(23)19-10-5-6-11-21-14(2)8-7-9-17(21)22/h7-9,15-16H,4-6,10-13H2,1-3H3,(H,19,23)
InChIKeyKNLNYFGQRCOJSQ-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.15
Rot. Bonds6

About 2-ethyl-6-methyl-N-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]morpholine-4-carboxamide

2-ethyl-6-methyl-N-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]morpholine-4-carboxamide (PubChem CID 71876586) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-ethyl-6-methyl-N-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-6-methyl-N-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]morpholine-4-carboxamide
PubChem CID71876586
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name2-ethyl-6-methyl-N-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]morpholine-4-carboxamide
SMILESCCC1CN(C(=O)NCCCCn2c(C)cccc2=O)CC(C)O1
InChIInChI=1S/C18H29N3O3/c1-4-16-13-20(12-15(3)24-16)18(23)19-10-5-6-11-21-14(2)8-7-9-17(21)22/h7-9,15-16H,4-6,10-13H2,1-3H3,(H,19,23)
InChIKeyKNLNYFGQRCOJSQ-UHFFFAOYSA-N
XLogP2.15
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-N-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]morpholine-4-carboxamide?
The IUPAC name of 2-ethyl-6-methyl-N-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]morpholine-4-carboxamide (CID 71876586) is 2-ethyl-6-methyl-N-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]morpholine-4-carboxamide.
What is the SMILES notation for 2-ethyl-6-methyl-N-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]morpholine-4-carboxamide?
The canonical SMILES for 2-ethyl-6-methyl-N-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]morpholine-4-carboxamide is CCC1CN(C(=O)NCCCCn2c(C)cccc2=O)CC(C)O1.
What is the InChIKey of 2-ethyl-6-methyl-N-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]morpholine-4-carboxamide?
The InChIKey is KNLNYFGQRCOJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-4-16-13-20(12-15(3)24-16)18(23)19-10-5-6-11-21-14(2)8-7-9-17(21)22/h7-9,15-16H,4-6,10-13H2,1-3H3,(H,19,23).
What are the key properties of 2-ethyl-6-methyl-N-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]morpholine-4-carboxamide?
2-ethyl-6-methyl-N-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]morpholine-4-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-N-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]morpholine-4-carboxamide is sourced from PubChem (CID 71876586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).