ethyl 4-[(3-phenylmorpholine-4-carbonyl)amino]benzoate

C20H22N2O4 — CID 130248478

IUPACethyl 4-[(3-phenylmorpholine-4-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)N2CCOCC2c2ccccc2)cc1
InChIInChI=1S/C20H22N2O4/c1-2-26-19(23)16-8-10-17(11-9-16)21-20(24)22-12-13-25-14-18(22)15-6-4-3-5-7-15/h3-11,18H,2,12-14H2,1H3,(H,21,24)
InChIKeyFFEVSAIVBFMSGR-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.47
Rot. Bonds4

About ethyl 4-[(3-phenylmorpholine-4-carbonyl)amino]benzoate

ethyl 4-[(3-phenylmorpholine-4-carbonyl)amino]benzoate (PubChem CID 130248478) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is ethyl 4-[(3-phenylmorpholine-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(3-phenylmorpholine-4-carbonyl)amino]benzoate
PubChem CID130248478
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Nameethyl 4-[(3-phenylmorpholine-4-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)N2CCOCC2c2ccccc2)cc1
InChIInChI=1S/C20H22N2O4/c1-2-26-19(23)16-8-10-17(11-9-16)21-20(24)22-12-13-25-14-18(22)15-6-4-3-5-7-15/h3-11,18H,2,12-14H2,1H3,(H,21,24)
InChIKeyFFEVSAIVBFMSGR-UHFFFAOYSA-N
XLogP3.47
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-3-phenylmorpholine-4-carboxamide
CID 84525724
4-[[[(3R)-3-phenylmorpholine-4-carbonyl]amino]methyl]benzoic acid
CID 129468648
ethyl 4-[[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]amino]benzoate
CID 92500022
3-methyl-N-phenylmorpholine-4-carboxamide
CID 47166676
(3R)-3-methyl-N-phenylmorpholine-4-carboxamide
CID 38887206
(3S)-3-methyl-N-phenylmorpholine-4-carboxamide
CID 38887208
ethyl 4-[(2-morpholin-4-yl-2-oxoacetyl)amino]benzoate
CID 2250451
ethyl 4-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)benzoate
CID 970289
ethyl 4-[[2-(2-morpholin-4-ylanilino)-2-oxoacetyl]amino]benzoate
CID 108500117
ethyl 4-[[4-[2-(N-methylanilino)-2-oxoethyl]piperazine-1-carbonyl]amino]benzoate
CID 3797605
ethyl 4-[[(2R,3S)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carbonyl]amino]benzoate
CID 28935183
ethyl 4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidine-3-carbonyl]amino]benzoate
CID 1031440

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-phenylmorpholine-4-carbonyl)amino]benzoate?
The IUPAC name of ethyl 4-[(3-phenylmorpholine-4-carbonyl)amino]benzoate (CID 130248478) is ethyl 4-[(3-phenylmorpholine-4-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(3-phenylmorpholine-4-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(3-phenylmorpholine-4-carbonyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)N2CCOCC2c2ccccc2)cc1.
What is the InChIKey of ethyl 4-[(3-phenylmorpholine-4-carbonyl)amino]benzoate?
The InChIKey is FFEVSAIVBFMSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-2-26-19(23)16-8-10-17(11-9-16)21-20(24)22-12-13-25-14-18(22)15-6-4-3-5-7-15/h3-11,18H,2,12-14H2,1H3,(H,21,24).
What are the key properties of ethyl 4-[(3-phenylmorpholine-4-carbonyl)amino]benzoate?
ethyl 4-[(3-phenylmorpholine-4-carbonyl)amino]benzoate has a molecular weight of 354.41 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-phenylmorpholine-4-carbonyl)amino]benzoate is sourced from PubChem (CID 130248478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).