methyl 4-[(2-morpholin-4-ylacetyl)-phenylmethoxyamino]benzoate

C21H24N2O5 — CID 142799155

IUPACmethyl 4-[(2-morpholin-4-ylacetyl)-phenylmethoxyamino]benzoate
SMILESCOC(=O)c1ccc(N(OCc2ccccc2)C(=O)CN2CCOCC2)cc1
InChIInChI=1S/C21H24N2O5/c1-26-21(25)18-7-9-19(10-8-18)23(28-16-17-5-3-2-4-6-17)20(24)15-22-11-13-27-14-12-22/h2-10H,11-16H2,1H3
InChIKeyJWCPIRHNHFFTEF-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.27
Rot. Bonds7

About methyl 4-[(2-morpholin-4-ylacetyl)-phenylmethoxyamino]benzoate

methyl 4-[(2-morpholin-4-ylacetyl)-phenylmethoxyamino]benzoate (PubChem CID 142799155) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is methyl 4-[(2-morpholin-4-ylacetyl)-phenylmethoxyamino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-morpholin-4-ylacetyl)-phenylmethoxyamino]benzoate
PubChem CID142799155
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Namemethyl 4-[(2-morpholin-4-ylacetyl)-phenylmethoxyamino]benzoate
SMILESCOC(=O)c1ccc(N(OCc2ccccc2)C(=O)CN2CCOCC2)cc1
InChIInChI=1S/C21H24N2O5/c1-26-21(25)18-7-9-19(10-8-18)23(28-16-17-5-3-2-4-6-17)20(24)15-22-11-13-27-14-12-22/h2-10H,11-16H2,1H3
InChIKeyJWCPIRHNHFFTEF-UHFFFAOYSA-N
XLogP2.27
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[phenylmethoxy(phenylmethoxycarbonyl)amino]benzoate
CID 166448168
methyl 4-[[N-(2-morpholin-4-ylethylsulfonyl)anilino]methyl]benzoate
CID 126541158
methyl 4-(morpholin-4-ylmethyl)benzoate
CID 10466592
methyl 3-(2-morpholin-4-ylethylamino)-4-phenylmethoxybenzoate
CID 90211616
4-O-benzyl 1-O-methyl benzene-1,4-dicarboxylate
CID 595908
(2S)-2-(N-(2-morpholin-4-ylacetyl)anilino)propanoic acid
CID 18658189
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 4-(morpholin-4-ylmethyl)benzoate
CID 7769111
1-(2-morpholin-4-ylethyl)-1-phenylmethoxyurea
CID 57165154
methyl 4-[acetyl-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]amino]benzoate
CID 113176363
methyl 4-[(N-piperidin-1-ylsulfonylanilino)methyl]benzoate
CID 159868704
benzyl 2-(1,7,13-trioxa-4,10,16-triazacyclooctadec-4-yl)acetate
CID 177188457
2-morpholin-4-yl-N-[4-[(2-phenylmethoxyacetyl)amino]phenyl]acetamide
CID 55505106

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-morpholin-4-ylacetyl)-phenylmethoxyamino]benzoate?
The IUPAC name of methyl 4-[(2-morpholin-4-ylacetyl)-phenylmethoxyamino]benzoate (CID 142799155) is methyl 4-[(2-morpholin-4-ylacetyl)-phenylmethoxyamino]benzoate.
What is the SMILES notation for methyl 4-[(2-morpholin-4-ylacetyl)-phenylmethoxyamino]benzoate?
The canonical SMILES for methyl 4-[(2-morpholin-4-ylacetyl)-phenylmethoxyamino]benzoate is COC(=O)c1ccc(N(OCc2ccccc2)C(=O)CN2CCOCC2)cc1.
What is the InChIKey of methyl 4-[(2-morpholin-4-ylacetyl)-phenylmethoxyamino]benzoate?
The InChIKey is JWCPIRHNHFFTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-26-21(25)18-7-9-19(10-8-18)23(28-16-17-5-3-2-4-6-17)20(24)15-22-11-13-27-14-12-22/h2-10H,11-16H2,1H3.
What are the key properties of methyl 4-[(2-morpholin-4-ylacetyl)-phenylmethoxyamino]benzoate?
methyl 4-[(2-morpholin-4-ylacetyl)-phenylmethoxyamino]benzoate has a molecular weight of 384.43 g/mol, XLogP of 2.27, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-morpholin-4-ylacetyl)-phenylmethoxyamino]benzoate is sourced from PubChem (CID 142799155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).