ethyl 2-(butan-2-ylamino)-2-(3,4-dichlorophenyl)acetate

C14H19Cl2NO2 — CID 54908339

IUPACethyl 2-(butan-2-ylamino)-2-(3,4-dichlorophenyl)acetate
SMILESCCOC(=O)C(NC(C)CC)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H19Cl2NO2/c1-4-9(3)17-13(14(18)19-5-2)10-6-7-11(15)12(16)8-10/h6-9,13,17H,4-5H2,1-3H3
InChIKeyOKVHAOYDBOBOEY-UHFFFAOYSA-N
MW304.22 g/mol
LogP3.99
Rot. Bonds6

About ethyl 2-(butan-2-ylamino)-2-(3,4-dichlorophenyl)acetate

ethyl 2-(butan-2-ylamino)-2-(3,4-dichlorophenyl)acetate (PubChem CID 54908339) has the molecular formula C14H19Cl2NO2 and a molecular weight of 304.22 g/mol. Its IUPAC name is ethyl 2-(butan-2-ylamino)-2-(3,4-dichlorophenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(butan-2-ylamino)-2-(3,4-dichlorophenyl)acetate
PubChem CID54908339
Molecular FormulaC14H19Cl2NO2
Molecular Weight304.22 g/mol
Exact Mass303.08
IUPAC Nameethyl 2-(butan-2-ylamino)-2-(3,4-dichlorophenyl)acetate
SMILESCCOC(=O)C(NC(C)CC)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H19Cl2NO2/c1-4-9(3)17-13(14(18)19-5-2)10-6-7-11(15)12(16)8-10/h6-9,13,17H,4-5H2,1-3H3
InChIKeyOKVHAOYDBOBOEY-UHFFFAOYSA-N
XLogP3.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(butan-2-ylamino)-2-(3,4-dibromophenyl)acetate
CID 114077402
ethyl 2-(butan-2-ylamino)-2-(3,4-dimethoxyphenyl)acetate
CID 61023762
methyl 2-(3-bromo-4-chlorophenyl)-2-(butan-2-ylamino)acetate
CID 83230709
ethyl 2-anilino-2-(3,4-dichlorophenyl)acetate
CID 60991921
ethyl 2-(butan-2-ylamino)-2-(6-methoxy-3-pyridinyl)acetate
CID 114937457
2-(butan-2-ylamino)-2-(3-chloro-4-methoxyphenyl)acetamide
CID 65026746
methyl 2-(butan-2-ylamino)-2-(4-chlorophenyl)acetate
CID 54908422
ethyl 3-amino-2-(3,4-dichlorophenyl)-3-oxopropanoate
CID 70584243
ethyl 2-(3,4-dichlorophenyl)-4-methylpentanoate
CID 46220930
methyl 2-(butan-2-ylamino)-2-(3,4-dimethoxyphenyl)acetate
CID 61024813
methyl 2-(3,4-dichlorophenyl)propanoate
CID 11402033
ethyl 2-(3-azidopropylamino)-2-(3,4-dichlorophenyl)acetate
CID 66190326

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(butan-2-ylamino)-2-(3,4-dichlorophenyl)acetate?
The IUPAC name of ethyl 2-(butan-2-ylamino)-2-(3,4-dichlorophenyl)acetate (CID 54908339) is ethyl 2-(butan-2-ylamino)-2-(3,4-dichlorophenyl)acetate.
What is the SMILES notation for ethyl 2-(butan-2-ylamino)-2-(3,4-dichlorophenyl)acetate?
The canonical SMILES for ethyl 2-(butan-2-ylamino)-2-(3,4-dichlorophenyl)acetate is CCOC(=O)C(NC(C)CC)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of ethyl 2-(butan-2-ylamino)-2-(3,4-dichlorophenyl)acetate?
The InChIKey is OKVHAOYDBOBOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO2/c1-4-9(3)17-13(14(18)19-5-2)10-6-7-11(15)12(16)8-10/h6-9,13,17H,4-5H2,1-3H3.
What are the key properties of ethyl 2-(butan-2-ylamino)-2-(3,4-dichlorophenyl)acetate?
ethyl 2-(butan-2-ylamino)-2-(3,4-dichlorophenyl)acetate has a molecular weight of 304.22 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(butan-2-ylamino)-2-(3,4-dichlorophenyl)acetate is sourced from PubChem (CID 54908339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).