methyl 4-(3-phenoxypropyl)morpholine-2-carboxylate

C15H21NO4 — CID 78926387

IUPACmethyl 4-(3-phenoxypropyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(CCCOc2ccccc2)CCO1
InChIInChI=1S/C15H21NO4/c1-18-15(17)14-12-16(9-11-20-14)8-5-10-19-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3
InChIKeyVDUACBWURIONIW-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.33
Rot. Bonds6

About methyl 4-(3-phenoxypropyl)morpholine-2-carboxylate

methyl 4-(3-phenoxypropyl)morpholine-2-carboxylate (PubChem CID 78926387) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 4-(3-phenoxypropyl)morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-phenoxypropyl)morpholine-2-carboxylate
PubChem CID78926387
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namemethyl 4-(3-phenoxypropyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(CCCOc2ccccc2)CCO1
InChIInChI=1S/C15H21NO4/c1-18-15(17)14-12-16(9-11-20-14)8-5-10-19-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3
InChIKeyVDUACBWURIONIW-UHFFFAOYSA-N
XLogP1.33
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.33
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

methyl 4-(4-phenylbutyl)morpholine-2-carboxylate
CID 114334492
methyl 4-octylmorpholine-2-carboxylate
CID 79002818
methyl 4-(2-ethoxyethyl)morpholine-2-carboxylate
CID 78927291
methyl 4-[2-(benzylamino)-2-oxoethyl]morpholine-2-carboxylate
CID 78925882
methyl 4-[(2-fluorophenyl)methyl]morpholine-2-carboxylate
CID 78926315
methyl 4-ethylmorpholine-2-carboxylate
CID 78926280
methyl 4-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]morpholine-2-carboxylate
CID 115537416
methyl 4-[(1-methylimidazol-2-yl)methyl]morpholine-2-carboxylate
CID 78926351
methyl (2S)-4-(1-benzothiophen-2-ylmethyl)morpholine-2-carboxylate
CID 97159017
(3S,4R)-1-(3-phenoxypropyl)pyrrolidine-3,4-diol
CID 79410528
methyl 4-[(2,3-dichlorophenyl)methyl]morpholine-2-carboxylate
CID 113346045
4-(3-ethoxypropyl)morpholine-2-carboxylic acid
CID 65180987

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-phenoxypropyl)morpholine-2-carboxylate?
The IUPAC name of methyl 4-(3-phenoxypropyl)morpholine-2-carboxylate (CID 78926387) is methyl 4-(3-phenoxypropyl)morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-(3-phenoxypropyl)morpholine-2-carboxylate?
The canonical SMILES for methyl 4-(3-phenoxypropyl)morpholine-2-carboxylate is COC(=O)C1CN(CCCOc2ccccc2)CCO1.
What is the InChIKey of methyl 4-(3-phenoxypropyl)morpholine-2-carboxylate?
The InChIKey is VDUACBWURIONIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-18-15(17)14-12-16(9-11-20-14)8-5-10-19-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3.
What are the key properties of methyl 4-(3-phenoxypropyl)morpholine-2-carboxylate?
methyl 4-(3-phenoxypropyl)morpholine-2-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 1.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-phenoxypropyl)morpholine-2-carboxylate is sourced from PubChem (CID 78926387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).