1-(2-oxo-1,1-diphenylethoxy)ethyl 2-(methylamino)acetate

C19H21NO4 — CID 177224766

IUPAC1-(2-oxo-1,1-diphenylethoxy)ethyl 2-(methylamino)acetate
SMILESCNCC(=O)OC(C)OC(C=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO4/c1-15(23-18(22)13-20-2)24-19(14-21,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,14-15,20H,13H2,1-2H3
InChIKeyKYJJDEMWTLUDRQ-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.25
Rot. Bonds8

About 1-(2-oxo-1,1-diphenylethoxy)ethyl 2-(methylamino)acetate

1-(2-oxo-1,1-diphenylethoxy)ethyl 2-(methylamino)acetate (PubChem CID 177224766) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-(2-oxo-1,1-diphenylethoxy)ethyl 2-(methylamino)acetate.

Molecular Properties

Compound Name1-(2-oxo-1,1-diphenylethoxy)ethyl 2-(methylamino)acetate
PubChem CID177224766
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name1-(2-oxo-1,1-diphenylethoxy)ethyl 2-(methylamino)acetate
SMILESCNCC(=O)OC(C)OC(C=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO4/c1-15(23-18(22)13-20-2)24-19(14-21,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,14-15,20H,13H2,1-2H3
InChIKeyKYJJDEMWTLUDRQ-UHFFFAOYSA-N
XLogP2.25
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(methylamino)-N-(4-methyl-4-phenylpentan-2-yl)acetamide
CID 119755775
methyl 3-methyl-4-oxo-3-phenylbutanoate
CID 131854689
2-[[2-(methylamino)acetyl]amino]-2-phenylpropanoic acid
CID 55078720
[(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 7783210
[(E)-4-trimethylsilylbut-3-en-2-yl] 2-benzamidoacetate
CID 101221460
N-(4-methyl-2-phenylpentan-2-yl)benzamide
CID 91484527
dimethyl 2-phenyl-2-propan-2-ylpropanedioate
CID 142728088
(2S)-2-formamido-2-phenylpropanoic acid
CID 86615567
2-(methylamino)-N-(2-methyl-2-phenylpropyl)acetamide
CID 60986486
1-(2-phenylpropan-2-ylperoxy)ethyl hexanoate
CID 88658895
benzhydryl 2-[(4-tert-butylbenzoyl)amino]acetate
CID 3681264
2-hydroxy-3-methyl-2-phenylbutanal
CID 12859212

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-1,1-diphenylethoxy)ethyl 2-(methylamino)acetate?
The IUPAC name of 1-(2-oxo-1,1-diphenylethoxy)ethyl 2-(methylamino)acetate (CID 177224766) is 1-(2-oxo-1,1-diphenylethoxy)ethyl 2-(methylamino)acetate.
What is the SMILES notation for 1-(2-oxo-1,1-diphenylethoxy)ethyl 2-(methylamino)acetate?
The canonical SMILES for 1-(2-oxo-1,1-diphenylethoxy)ethyl 2-(methylamino)acetate is CNCC(=O)OC(C)OC(C=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(2-oxo-1,1-diphenylethoxy)ethyl 2-(methylamino)acetate?
The InChIKey is KYJJDEMWTLUDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-15(23-18(22)13-20-2)24-19(14-21,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,14-15,20H,13H2,1-2H3.
What are the key properties of 1-(2-oxo-1,1-diphenylethoxy)ethyl 2-(methylamino)acetate?
1-(2-oxo-1,1-diphenylethoxy)ethyl 2-(methylamino)acetate has a molecular weight of 327.38 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-1,1-diphenylethoxy)ethyl 2-(methylamino)acetate is sourced from PubChem (CID 177224766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).