ethyl 2-[[2-(2-phenylethyl)morpholine-4-carbonyl]amino]acetate

C17H24N2O4 — CID 45208752

IUPACethyl 2-[[2-(2-phenylethyl)morpholine-4-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCOC(CCc2ccccc2)C1
InChIInChI=1S/C17H24N2O4/c1-2-22-16(20)12-18-17(21)19-10-11-23-15(13-19)9-8-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H,18,21)
InChIKeyRXGZIULVEJRDPG-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.59
Rot. Bonds6

About ethyl 2-[[2-(2-phenylethyl)morpholine-4-carbonyl]amino]acetate

ethyl 2-[[2-(2-phenylethyl)morpholine-4-carbonyl]amino]acetate (PubChem CID 45208752) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is ethyl 2-[[2-(2-phenylethyl)morpholine-4-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(2-phenylethyl)morpholine-4-carbonyl]amino]acetate
PubChem CID45208752
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Nameethyl 2-[[2-(2-phenylethyl)morpholine-4-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCOC(CCc2ccccc2)C1
InChIInChI=1S/C17H24N2O4/c1-2-22-16(20)12-18-17(21)19-10-11-23-15(13-19)9-8-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H,18,21)
InChIKeyRXGZIULVEJRDPG-UHFFFAOYSA-N
XLogP1.59
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-phenylpropyl)morpholine-4-carboxamide
CID 1973120
(R)-2-[(2-Ethyl-piperidine-1-carbonyl)-amino]-3-phenyl-propionic acid methyl ester
CID 16681789
ethyl N-({3-[methyl(2-phenylethyl)amino]piperidin-1-yl}carbonyl)glycinate
CID 23723929
ethyl 2-[(4S,5S,6R)-5-acetyl-6-methyl-2-oxo-4-(2-phenylethyl)-1,3-diazinan-1-yl]acetate
CID 16759623
(S)-methyl 2-(3-(3-ethoxypropyl)ureido)-3-phenylpropanoate
CID 661939
(2S)-2-(2,6-dimethylmorpholine-4-carboxamido)-3-phenylpropanoic acid
CID 664127
4-phenylbutyl (2S)-1-(2,2-dimethylpropylcarbamoyl)piperidine-2-carboxylate
CID 10714474
4-phenylbutyl (2S)-1-[(1-methylcyclohexyl)methylcarbamoyl]piperidine-2-carboxylate
CID 11742535
(R)-3-Phenyl-2-[(piperidine-1-carbonyl)-amino]-propionic acid methyl ester
CID 939366
methyl (2S)-2-[(4-benzylpiperidine-1-carbonyl)amino]propanoate
CID 943337
methyl (2S)-2-[(4-benzylpiperidine-1-carbonyl)amino]-3-methylbutanoate
CID 943798
1-Methyl-1-(2-oxo-2-(3-phenylpropoxy)ethyl)piperidin-1-ium iodide
CID 16192815

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2-phenylethyl)morpholine-4-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-(2-phenylethyl)morpholine-4-carbonyl]amino]acetate (CID 45208752) is ethyl 2-[[2-(2-phenylethyl)morpholine-4-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(2-phenylethyl)morpholine-4-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-(2-phenylethyl)morpholine-4-carbonyl]amino]acetate is CCOC(=O)CNC(=O)N1CCOC(CCc2ccccc2)C1.
What is the InChIKey of ethyl 2-[[2-(2-phenylethyl)morpholine-4-carbonyl]amino]acetate?
The InChIKey is RXGZIULVEJRDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-2-22-16(20)12-18-17(21)19-10-11-23-15(13-19)9-8-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H,18,21).
What are the key properties of ethyl 2-[[2-(2-phenylethyl)morpholine-4-carbonyl]amino]acetate?
ethyl 2-[[2-(2-phenylethyl)morpholine-4-carbonyl]amino]acetate has a molecular weight of 320.39 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2-phenylethyl)morpholine-4-carbonyl]amino]acetate is sourced from PubChem (CID 45208752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).