methyl 3-phenyl-2-[(2-phenylmorpholine-4-carbonyl)amino]propanoate

C21H24N2O4 — CID 74662394

IUPACmethyl 3-phenyl-2-[(2-phenylmorpholine-4-carbonyl)amino]propanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C21H24N2O4/c1-26-20(24)18(14-16-8-4-2-5-9-16)22-21(25)23-12-13-27-19(15-23)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3,(H,22,25)
InChIKeyBZUYLMYGXULSFD-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.55
Rot. Bonds5

About methyl 3-phenyl-2-[(2-phenylmorpholine-4-carbonyl)amino]propanoate

methyl 3-phenyl-2-[(2-phenylmorpholine-4-carbonyl)amino]propanoate (PubChem CID 74662394) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is methyl 3-phenyl-2-[(2-phenylmorpholine-4-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-phenyl-2-[(2-phenylmorpholine-4-carbonyl)amino]propanoate
PubChem CID74662394
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Namemethyl 3-phenyl-2-[(2-phenylmorpholine-4-carbonyl)amino]propanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C21H24N2O4/c1-26-20(24)18(14-16-8-4-2-5-9-16)22-21(25)23-12-13-27-19(15-23)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3,(H,22,25)
InChIKeyBZUYLMYGXULSFD-UHFFFAOYSA-N
XLogP2.55
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(morpholine-4-carbonylamino)-3-phenylpropanoate
CID 3297862
5-phenyl-4-[(2-phenylmorpholine-4-carbonyl)amino]pentanoic acid
CID 122027308
2-amino-3-methoxy-1-(2-phenylmorpholin-4-yl)propan-1-one;hydrochloride
CID 120984965
(2R)-2-(4-phenylmethoxyphenyl)morpholine-4-carboxylic acid
CID 68617082
2-bromo-1-(2-phenylmorpholin-4-yl)butan-1-one
CID 62855050
methyl 2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-3-phenylpropanoate
CID 3268160
N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]-3-phenylpropanamide
CID 30851130
3-amino-1-(2-phenylmorpholin-4-yl)propan-1-one;hydrochloride
CID 119278810
benzyl (2S)-2-[(4-methylpiperidine-1-carbonyl)amino]-3-phenylpropanoate
CID 54377577
(2S)-2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]-3-phenylpropanoic acid
CID 120782370
(2S)-2-amino-1-(2-phenylmorpholin-4-yl)hexan-1-one
CID 103831208
methyl 3-(2-hydroxypyrrolidin-3-yl)-2-[[2-(morpholine-4-carbonylamino)-3-phenylpropanoyl]amino]propanoate
CID 123771201

Frequently Asked Questions

What is the IUPAC name of methyl 3-phenyl-2-[(2-phenylmorpholine-4-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-phenyl-2-[(2-phenylmorpholine-4-carbonyl)amino]propanoate (CID 74662394) is methyl 3-phenyl-2-[(2-phenylmorpholine-4-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-phenyl-2-[(2-phenylmorpholine-4-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-phenyl-2-[(2-phenylmorpholine-4-carbonyl)amino]propanoate is COC(=O)C(Cc1ccccc1)NC(=O)N1CCOC(c2ccccc2)C1.
What is the InChIKey of methyl 3-phenyl-2-[(2-phenylmorpholine-4-carbonyl)amino]propanoate?
The InChIKey is BZUYLMYGXULSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-26-20(24)18(14-16-8-4-2-5-9-16)22-21(25)23-12-13-27-19(15-23)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3,(H,22,25).
What are the key properties of methyl 3-phenyl-2-[(2-phenylmorpholine-4-carbonyl)amino]propanoate?
methyl 3-phenyl-2-[(2-phenylmorpholine-4-carbonyl)amino]propanoate has a molecular weight of 368.43 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-phenyl-2-[(2-phenylmorpholine-4-carbonyl)amino]propanoate is sourced from PubChem (CID 74662394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).