ethyl 4-[[2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutanoate

C16H24N2O3 — CID 60638012

IUPACethyl 4-[[2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)NCC(c1ccccc1)N(C)C
InChIInChI=1S/C16H24N2O3/c1-4-21-16(20)11-10-15(19)17-12-14(18(2)3)13-8-6-5-7-9-13/h5-9,14H,4,10-12H2,1-3H3,(H,17,19)
InChIKeyFWTIQXNUOJAILJ-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.75
Rot. Bonds8

About ethyl 4-[[2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutanoate

ethyl 4-[[2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutanoate (PubChem CID 60638012) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is ethyl 4-[[2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[[2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutanoate
PubChem CID60638012
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nameethyl 4-[[2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)NCC(c1ccccc1)N(C)C
InChIInChI=1S/C16H24N2O3/c1-4-21-16(20)11-10-15(19)17-12-14(18(2)3)13-8-6-5-7-9-13/h5-9,14H,4,10-12H2,1-3H3,(H,17,19)
InChIKeyFWTIQXNUOJAILJ-UHFFFAOYSA-N
XLogP1.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[2-(dimethylamino)-2-phenylethyl]pentanamide;dihydrochloride
CID 120564173
ethyl 4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-4-oxobutanoate
CID 60636693
7-amino-N-[2-(dimethylamino)-2-phenylethyl]heptanamide;dihydrochloride
CID 119828718
N-[2-(dimethylamino)-2-phenylethyl]-2-(2-ethoxyphenoxy)acetamide
CID 42893424
2-amino-N-[2-[[2-(dimethylamino)-2-phenylethyl]amino]-2-oxoethyl]acetamide
CID 61251719
(2R)-2-[(4-ethoxy-4-oxobutanoyl)amino]-2-phenylacetic acid
CID 61143217
2,2,2-trifluoroethyl N-[3-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-3-oxopropyl]carbamate
CID 95581913
N-[2-(dimethylamino)-2-phenylethyl]-2-(propylamino)acetamide
CID 60687431
4-amino-N-[2-(dimethylamino)-2-phenylethyl]-3-methylbutanamide
CID 81087504
ethyl 4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-4-oxobutanoate
CID 62114406
2-(benzhydrylamino)-N-[2-(dimethylamino)-2-phenylethyl]acetamide
CID 112799826
3-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide
CID 110460305

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[[2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutanoate (CID 60638012) is ethyl 4-[[2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[[2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[[2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutanoate is CCOC(=O)CCC(=O)NCC(c1ccccc1)N(C)C.
What is the InChIKey of ethyl 4-[[2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutanoate?
The InChIKey is FWTIQXNUOJAILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-21-16(20)11-10-15(19)17-12-14(18(2)3)13-8-6-5-7-9-13/h5-9,14H,4,10-12H2,1-3H3,(H,17,19).
What are the key properties of ethyl 4-[[2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutanoate?
ethyl 4-[[2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutanoate has a molecular weight of 292.38 g/mol, XLogP of 1.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutanoate is sourced from PubChem (CID 60638012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).