methyl 4-[2-(morpholine-3-carbonylamino)ethyl]benzoate

C15H20N2O4 — CID 119701381

IUPACmethyl 4-[2-(morpholine-3-carbonylamino)ethyl]benzoate
SMILESCOC(=O)c1ccc(CCNC(=O)C2COCCN2)cc1
InChIInChI=1S/C15H20N2O4/c1-20-15(19)12-4-2-11(3-5-12)6-7-17-14(18)13-10-21-9-8-16-13/h2-5,13,16H,6-10H2,1H3,(H,17,18)
InChIKeyJBACPHYBWORFCS-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.12
Rot. Bonds5

About methyl 4-[2-(morpholine-3-carbonylamino)ethyl]benzoate

methyl 4-[2-(morpholine-3-carbonylamino)ethyl]benzoate (PubChem CID 119701381) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is methyl 4-[2-(morpholine-3-carbonylamino)ethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-(morpholine-3-carbonylamino)ethyl]benzoate
PubChem CID119701381
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Namemethyl 4-[2-(morpholine-3-carbonylamino)ethyl]benzoate
SMILESCOC(=O)c1ccc(CCNC(=O)C2COCCN2)cc1
InChIInChI=1S/C15H20N2O4/c1-20-15(19)12-4-2-11(3-5-12)6-7-17-14(18)13-10-21-9-8-16-13/h2-5,13,16H,6-10H2,1H3,(H,17,18)
InChIKeyJBACPHYBWORFCS-UHFFFAOYSA-N
XLogP0.12
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-ethylphenyl)ethyl]morpholine-3-carboxamide
CID 115177646
N-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine-3-carboxamide;hydrochloride
CID 119721497
(3S)-N-(2-methoxyethyl)morpholine-3-carboxamide
CID 96998631
N-[2-(3,5-dichlorophenyl)ethyl]morpholine-3-carboxamide
CID 119752644
methyl 4-[2-(piperidine-4-carbonylamino)ethyl]benzoate
CID 119277519
N-[[4-(methoxymethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119718110
methyl 4-[2-[[(2S)-7-oxoazepane-2-carbonyl]amino]ethyl]benzoate
CID 124626533
N-[2-(4-methoxyphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride
CID 119694151
N-[(3-methoxy-4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119747493
N-[[4-(2-methoxyethoxy)phenyl]methyl]morpholine-3-carboxamide
CID 119723243
N-[2-(5-bromo-2-methylphenyl)ethyl]morpholine-3-carboxamide
CID 115177656
N-[2-(5-chlorothiophen-2-yl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 119735842

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(morpholine-3-carbonylamino)ethyl]benzoate?
The IUPAC name of methyl 4-[2-(morpholine-3-carbonylamino)ethyl]benzoate (CID 119701381) is methyl 4-[2-(morpholine-3-carbonylamino)ethyl]benzoate.
What is the SMILES notation for methyl 4-[2-(morpholine-3-carbonylamino)ethyl]benzoate?
The canonical SMILES for methyl 4-[2-(morpholine-3-carbonylamino)ethyl]benzoate is COC(=O)c1ccc(CCNC(=O)C2COCCN2)cc1.
What is the InChIKey of methyl 4-[2-(morpholine-3-carbonylamino)ethyl]benzoate?
The InChIKey is JBACPHYBWORFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-20-15(19)12-4-2-11(3-5-12)6-7-17-14(18)13-10-21-9-8-16-13/h2-5,13,16H,6-10H2,1H3,(H,17,18).
What are the key properties of methyl 4-[2-(morpholine-3-carbonylamino)ethyl]benzoate?
methyl 4-[2-(morpholine-3-carbonylamino)ethyl]benzoate has a molecular weight of 292.34 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(morpholine-3-carbonylamino)ethyl]benzoate is sourced from PubChem (CID 119701381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).