ethyl 2-[[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoacetate

C16H22N2O4 — CID 110287113

IUPACethyl 2-[[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)N[C@H](C(=O)N(CC)CC)c1ccccc1
InChIInChI=1S/C16H22N2O4/c1-4-18(5-2)15(20)13(12-10-8-7-9-11-12)17-14(19)16(21)22-6-3/h7-11,13H,4-6H2,1-3H3,(H,17,19)/t13-/m0/s1
InChIKeyHYWPBQXEUSEBOK-ZDUSSCGKSA-N
MW306.36 g/mol
LogP1.28
Rot. Bonds6

About ethyl 2-[[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoacetate

ethyl 2-[[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoacetate (PubChem CID 110287113) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is ethyl 2-[[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoacetate
PubChem CID110287113
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Nameethyl 2-[[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)N[C@H](C(=O)N(CC)CC)c1ccccc1
InChIInChI=1S/C16H22N2O4/c1-4-18(5-2)15(20)13(12-10-8-7-9-11-12)17-14(19)16(21)22-6-3/h7-11,13H,4-6H2,1-3H3,(H,17,19)/t13-/m0/s1
InChIKeyHYWPBQXEUSEBOK-ZDUSSCGKSA-N
XLogP1.28
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

ethyl (2S)-2-[(2-ethoxy-2-oxoacetyl)amino]-2-phenylacetate
CID 102489983
N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-2-methylpropanamide
CID 110287067
N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]butanamide
CID 110287066
(2S)-N,N-diethyl-2-phenyl-2-(phenylcarbamoylamino)acetamide
CID 110287102
2-(tert-butylamino)-N,N-diethyl-2-phenylacetamide
CID 11118885
2-cyclopropyl-N-[2-(diethylamino)-2-oxo-1-phenylethyl]propanamide
CID 110626255
(2S)-N,N-diethyl-2-[[2-(4-methoxyphenyl)acetyl]amino]-2-phenylacetamide
CID 110287094
(2S)-N,N-diethyl-2-(methanesulfonamido)-2-phenylacetamide
CID 110287123
2-deuterio-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 90474492
ethyl (Z)-2-(diethylamino)-4,4-diphenylbut-2-enoate;hydrochloride
CID 175493317
ethyl 3-benzamido-2-oxo-3-phenylpropanoate
CID 11809094
N-[(1R)-2-(diethylamino)-2-oxo-1-phenylethyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 97338063

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoacetate?
The IUPAC name of ethyl 2-[[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoacetate (CID 110287113) is ethyl 2-[[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoacetate is CCOC(=O)C(=O)N[C@H](C(=O)N(CC)CC)c1ccccc1.
What is the InChIKey of ethyl 2-[[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoacetate?
The InChIKey is HYWPBQXEUSEBOK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-4-18(5-2)15(20)13(12-10-8-7-9-11-12)17-14(19)16(21)22-6-3/h7-11,13H,4-6H2,1-3H3,(H,17,19)/t13-/m0/s1.
What are the key properties of ethyl 2-[[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoacetate?
ethyl 2-[[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoacetate has a molecular weight of 306.36 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoacetate is sourced from PubChem (CID 110287113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).