ethyl 4-[3-(dimethylamino)anilino]-4-oxobutanoate

C14H20N2O3 — CID 78910863

IUPACethyl 4-[3-(dimethylamino)anilino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)Nc1cccc(N(C)C)c1
InChIInChI=1S/C14H20N2O3/c1-4-19-14(18)9-8-13(17)15-11-6-5-7-12(10-11)16(2)3/h5-7,10H,4,8-9H2,1-3H3,(H,15,17)
InChIKeyXFTUJSDPFAMOOB-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.03
Rot. Bonds6

About ethyl 4-[3-(dimethylamino)anilino]-4-oxobutanoate

ethyl 4-[3-(dimethylamino)anilino]-4-oxobutanoate (PubChem CID 78910863) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl 4-[3-(dimethylamino)anilino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[3-(dimethylamino)anilino]-4-oxobutanoate
PubChem CID78910863
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nameethyl 4-[3-(dimethylamino)anilino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)Nc1cccc(N(C)C)c1
InChIInChI=1S/C14H20N2O3/c1-4-19-14(18)9-8-13(17)15-11-6-5-7-12(10-11)16(2)3/h5-7,10H,4,8-9H2,1-3H3,(H,15,17)
InChIKeyXFTUJSDPFAMOOB-UHFFFAOYSA-N
XLogP2.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[3-(dimethylamino)anilino]-4-oxobutanoate
CID 108797566
3-[butyl(methyl)amino]-N-[3-(dimethylamino)phenyl]propanamide
CID 108795391
ethyl 3-[[3-(3-chloroanilino)-3-oxopropyl]-methylamino]propanoate
CID 62013389
3-(4-aminophenyl)-N-[3-(dimethylamino)phenyl]propanamide
CID 115375741
ethyl 4-oxo-4-(3-pyrrolidin-1-ylanilino)butanoate
CID 61062260
[3-(dimethylamino)phenyl]carbamic acid
CID 91129511
N-[3-(dimethylamino)phenyl]-2-(prop-2-ynylamino)acetamide
CID 113297619
4-(4-chlorophenyl)-N-[3-(dimethylamino)phenyl]-4-oxobutanamide
CID 108796869
2-(butan-2-ylamino)-N-[3-(dimethylamino)phenyl]acetamide
CID 115376908
N-[3-(dimethylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 108796402
ethyl 4-[3-(butylcarbamoyl)anilino]-4-oxobutanoate
CID 17196916
ethyl 4-(3-iodo-4-methylanilino)-4-oxobutanoate
CID 9088231

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(dimethylamino)anilino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[3-(dimethylamino)anilino]-4-oxobutanoate (CID 78910863) is ethyl 4-[3-(dimethylamino)anilino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[3-(dimethylamino)anilino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[3-(dimethylamino)anilino]-4-oxobutanoate is CCOC(=O)CCC(=O)Nc1cccc(N(C)C)c1.
What is the InChIKey of ethyl 4-[3-(dimethylamino)anilino]-4-oxobutanoate?
The InChIKey is XFTUJSDPFAMOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-19-14(18)9-8-13(17)15-11-6-5-7-12(10-11)16(2)3/h5-7,10H,4,8-9H2,1-3H3,(H,15,17).
What are the key properties of ethyl 4-[3-(dimethylamino)anilino]-4-oxobutanoate?
ethyl 4-[3-(dimethylamino)anilino]-4-oxobutanoate has a molecular weight of 264.32 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(dimethylamino)anilino]-4-oxobutanoate is sourced from PubChem (CID 78910863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).