methyl 4-octylmorpholine-2-carboxylate

C14H27NO3 — CID 79002818

IUPACmethyl 4-octylmorpholine-2-carboxylate
SMILESCCCCCCCCN1CCOC(C(=O)OC)C1
InChIInChI=1S/C14H27NO3/c1-3-4-5-6-7-8-9-15-10-11-18-13(12-15)14(16)17-2/h13H,3-12H2,1-2H3
InChIKeyIQRZIBZNZFKWKL-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.22
Rot. Bonds8

About methyl 4-octylmorpholine-2-carboxylate

methyl 4-octylmorpholine-2-carboxylate (PubChem CID 79002818) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is methyl 4-octylmorpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-octylmorpholine-2-carboxylate
PubChem CID79002818
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Namemethyl 4-octylmorpholine-2-carboxylate
SMILESCCCCCCCCN1CCOC(C(=O)OC)C1
InChIInChI=1S/C14H27NO3/c1-3-4-5-6-7-8-9-15-10-11-18-13(12-15)14(16)17-2/h13H,3-12H2,1-2H3
InChIKeyIQRZIBZNZFKWKL-UHFFFAOYSA-N
XLogP2.22
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 4-octylmorpholine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-(2-ethoxyethyl)morpholine-2-carboxylate
CID 78927291
methyl 4-ethylmorpholine-2-carboxylate
CID 78926280
methyl 4-heptanoylmorpholine-2-carboxylate
CID 78926830
methyl 4-(4-phenylbutyl)morpholine-2-carboxylate
CID 114334492
4-nonylmorpholine-2-carbothioamide
CID 79681304
methyl 4-(3-phenoxypropyl)morpholine-2-carboxylate
CID 78926387
methyl 4-[2-oxo-2-(propylamino)ethyl]morpholine-2-carboxylate
CID 78926469
methyl 4-(2-ethoxy-2-oxoethyl)morpholine-2-carboxylate
CID 78927241
methyl 4-[(4-ethylmorpholin-2-yl)methyl]morpholine-2-carboxylate
CID 78946666
methyl 1-hexylpyrrolidine-3-carboxylate
CID 79002814
methyl 4-[(E)-but-2-enyl]morpholine-2-carboxylate
CID 78926479
methyl 4-butylsulfonylmorpholine-2-carboxylate
CID 78927085

Frequently Asked Questions

What is the IUPAC name of methyl 4-octylmorpholine-2-carboxylate?
The IUPAC name of methyl 4-octylmorpholine-2-carboxylate (CID 79002818) is methyl 4-octylmorpholine-2-carboxylate.
What is the SMILES notation for methyl 4-octylmorpholine-2-carboxylate?
The canonical SMILES for methyl 4-octylmorpholine-2-carboxylate is CCCCCCCCN1CCOC(C(=O)OC)C1.
What is the InChIKey of methyl 4-octylmorpholine-2-carboxylate?
The InChIKey is IQRZIBZNZFKWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-3-4-5-6-7-8-9-15-10-11-18-13(12-15)14(16)17-2/h13H,3-12H2,1-2H3.
What are the key properties of methyl 4-octylmorpholine-2-carboxylate?
methyl 4-octylmorpholine-2-carboxylate has a molecular weight of 257.37 g/mol, XLogP of 2.22, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-octylmorpholine-2-carboxylate is sourced from PubChem (CID 79002818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).