ethyl 2-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]morpholine-4-carboxylate

C16H22ClN3O5 — CID 14877396

IUPACethyl 2-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]morpholine-4-carboxylate
SMILESCCOC(=O)N1CCOC(CNC(=O)c2cc(Cl)c(N)cc2OC)C1
InChIInChI=1S/C16H22ClN3O5/c1-3-24-16(22)20-4-5-25-10(9-20)8-19-15(21)11-6-12(17)13(18)7-14(11)23-2/h6-7,10H,3-5,8-9,18H2,1-2H3,(H,19,21)
InChIKeyPUEKXXRSLTWHEW-UHFFFAOYSA-N
MW371.82 g/mol
LogP1.52
Rot. Bonds5

About ethyl 2-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]morpholine-4-carboxylate

ethyl 2-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]morpholine-4-carboxylate (PubChem CID 14877396) has the molecular formula C16H22ClN3O5 and a molecular weight of 371.82 g/mol. Its IUPAC name is ethyl 2-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]morpholine-4-carboxylate
PubChem CID14877396
Molecular FormulaC16H22ClN3O5
Molecular Weight371.82 g/mol
Exact Mass371.12
IUPAC Nameethyl 2-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]morpholine-4-carboxylate
SMILESCCOC(=O)N1CCOC(CNC(=O)c2cc(Cl)c(N)cc2OC)C1
InChIInChI=1S/C16H22ClN3O5/c1-3-24-16(22)20-4-5-25-10(9-20)8-19-15(21)11-6-12(17)13(18)7-14(11)23-2/h6-7,10H,3-5,8-9,18H2,1-2H3,(H,19,21)
InChIKeyPUEKXXRSLTWHEW-UHFFFAOYSA-N
XLogP1.52
TPSA103.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]-1,4-oxazepane-4-carboxylate
CID 59510500
CID 59510467
CID 59510467
4-amino-5-chloro-N-[[4-[[1-(2-hydroxyacetyl)piperidin-4-yl]methyl]morpholin-2-yl]methyl]-2-methoxybenzamide;hydrochloride
CID 67055727
4-amino-5-chloro-2-methoxy-N-[[4-(2-phenylethyl)morpholin-2-yl]methyl]benzamide
CID 14877438
4-amino-5-chloro-2-methoxy-N-[[(2S)-4-[(1-methylsulfonylpiperidin-4-yl)methyl]morpholin-2-yl]methyl]benzamide
CID 67055744
2-[4-[[2-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]morpholin-4-yl]methyl]piperidin-1-yl]acetyl cyanide
CID 141247863
(4-amino-5-chloro-2-methoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 90103957
N-[[(3R,8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-4-amino-5-chloro-2-methoxybenzamide
CID 42635083
4-amino-5-chloro-N-[[4-[(2-cyanophenyl)methyl]morpholin-2-yl]methyl]-2-methoxybenzamide
CID 3087006
4-amino-5-chloro-2-methoxy-N-[[4-[[3-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl]benzamide
CID 3087008
4-amino-5-chloro-N-[[4-[(4-cyanophenyl)methyl]morpholin-2-yl]methyl]-2-methoxybenzamide;(E)-but-2-enedioic acid
CID 6450587
(4-amino-5-chloro-2-methoxyphenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone;dihydrochloride
CID 119881097

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]morpholine-4-carboxylate?
The IUPAC name of ethyl 2-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]morpholine-4-carboxylate (CID 14877396) is ethyl 2-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]morpholine-4-carboxylate.
What is the SMILES notation for ethyl 2-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]morpholine-4-carboxylate?
The canonical SMILES for ethyl 2-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]morpholine-4-carboxylate is CCOC(=O)N1CCOC(CNC(=O)c2cc(Cl)c(N)cc2OC)C1.
What is the InChIKey of ethyl 2-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]morpholine-4-carboxylate?
The InChIKey is PUEKXXRSLTWHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O5/c1-3-24-16(22)20-4-5-25-10(9-20)8-19-15(21)11-6-12(17)13(18)7-14(11)23-2/h6-7,10H,3-5,8-9,18H2,1-2H3,(H,19,21).
What are the key properties of ethyl 2-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]morpholine-4-carboxylate?
ethyl 2-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]morpholine-4-carboxylate has a molecular weight of 371.82 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]morpholine-4-carboxylate is sourced from PubChem (CID 14877396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).