ethyl 2-(butan-2-ylamino)-2-(2,5-dichlorophenyl)propanoate

C15H21Cl2NO2 — CID 61025629

IUPACethyl 2-(butan-2-ylamino)-2-(2,5-dichlorophenyl)propanoate
SMILESCCOC(=O)C(C)(NC(C)CC)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H21Cl2NO2/c1-5-10(3)18-15(4,14(19)20-6-2)12-9-11(16)7-8-13(12)17/h7-10,18H,5-6H2,1-4H3
InChIKeyALJXWKCSYHIMIP-UHFFFAOYSA-N
MW318.24 g/mol
LogP4.16
Rot. Bonds6

About ethyl 2-(butan-2-ylamino)-2-(2,5-dichlorophenyl)propanoate

ethyl 2-(butan-2-ylamino)-2-(2,5-dichlorophenyl)propanoate (PubChem CID 61025629) has the molecular formula C15H21Cl2NO2 and a molecular weight of 318.24 g/mol. Its IUPAC name is ethyl 2-(butan-2-ylamino)-2-(2,5-dichlorophenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-(butan-2-ylamino)-2-(2,5-dichlorophenyl)propanoate
PubChem CID61025629
Molecular FormulaC15H21Cl2NO2
Molecular Weight318.24 g/mol
Exact Mass317.09
IUPAC Nameethyl 2-(butan-2-ylamino)-2-(2,5-dichlorophenyl)propanoate
SMILESCCOC(=O)C(C)(NC(C)CC)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H21Cl2NO2/c1-5-10(3)18-15(4,14(19)20-6-2)12-9-11(16)7-8-13(12)17/h7-10,18H,5-6H2,1-4H3
InChIKeyALJXWKCSYHIMIP-UHFFFAOYSA-N
XLogP4.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(butan-2-ylamino)-2-(2,4-dichloro-5-fluorophenyl)propanoate
CID 63523954
2-(butan-2-ylamino)-2-(2,4-dichlorophenyl)propanoic acid
CID 61024255
ethyl 2-(butan-2-ylamino)-2-(2-methoxy-5-methylphenyl)propanoate
CID 61025042
ethyl 2-(butan-2-ylamino)-2-(4-methylphenyl)propanoate
CID 54907922
ethyl 2-(2,5-dichlorophenyl)-4-hydroxy-2-methylbutanoate
CID 117049944
ethyl 2-(butan-2-ylamino)-2-(4-fluorophenyl)propanoate
CID 54907921
ethyl 2-(butan-2-ylamino)-2-(4-methoxyphenyl)propanoate
CID 61025459
2-(2,5-dichlorophenyl)-2-(ethylamino)propanamide
CID 60787377
2-(butan-2-ylamino)-2-(3-chlorophenyl)propanoic acid
CID 61024539
methyl 3-(2,5-dichlorophenyl)-2-ethyl-3-hydroxybutanoate
CID 62394589
ethyl 3-(2,5-dichlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)propanoate
CID 63466916
ethyl 3-(2,5-dichlorophenyl)-3-pyrrolidin-1-ylbutanoate
CID 64540295

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(butan-2-ylamino)-2-(2,5-dichlorophenyl)propanoate?
The IUPAC name of ethyl 2-(butan-2-ylamino)-2-(2,5-dichlorophenyl)propanoate (CID 61025629) is ethyl 2-(butan-2-ylamino)-2-(2,5-dichlorophenyl)propanoate.
What is the SMILES notation for ethyl 2-(butan-2-ylamino)-2-(2,5-dichlorophenyl)propanoate?
The canonical SMILES for ethyl 2-(butan-2-ylamino)-2-(2,5-dichlorophenyl)propanoate is CCOC(=O)C(C)(NC(C)CC)c1cc(Cl)ccc1Cl.
What is the InChIKey of ethyl 2-(butan-2-ylamino)-2-(2,5-dichlorophenyl)propanoate?
The InChIKey is ALJXWKCSYHIMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO2/c1-5-10(3)18-15(4,14(19)20-6-2)12-9-11(16)7-8-13(12)17/h7-10,18H,5-6H2,1-4H3.
What are the key properties of ethyl 2-(butan-2-ylamino)-2-(2,5-dichlorophenyl)propanoate?
ethyl 2-(butan-2-ylamino)-2-(2,5-dichlorophenyl)propanoate has a molecular weight of 318.24 g/mol, XLogP of 4.16, 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-(2,5-dichlorophenyl)propanoate is sourced from PubChem (CID 61025629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).