ethyl 2-[[2-(2,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetate

C15H19Cl2NO3 — CID 19778949

IUPACethyl 2-[[2-(2,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)Cc1ccc(Cl)cc1Cl)C(C)C
InChIInChI=1S/C15H19Cl2NO3/c1-4-21-15(20)9-18(10(2)3)14(19)7-11-5-6-12(16)8-13(11)17/h5-6,8,10H,4,7,9H2,1-3H3
InChIKeyTUGKBJDXQMYOMK-UHFFFAOYSA-N
MW332.23 g/mol
LogP3.34
Rot. Bonds6

About ethyl 2-[[2-(2,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetate

ethyl 2-[[2-(2,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetate (PubChem CID 19778949) has the molecular formula C15H19Cl2NO3 and a molecular weight of 332.23 g/mol. Its IUPAC name is ethyl 2-[[2-(2,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(2,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetate
PubChem CID19778949
Molecular FormulaC15H19Cl2NO3
Molecular Weight332.23 g/mol
Exact Mass331.07
IUPAC Nameethyl 2-[[2-(2,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)Cc1ccc(Cl)cc1Cl)C(C)C
InChIInChI=1S/C15H19Cl2NO3/c1-4-21-15(20)9-18(10(2)3)14(19)7-11-5-6-12(16)8-13(11)17/h5-6,8,10H,4,7,9H2,1-3H3
InChIKeyTUGKBJDXQMYOMK-UHFFFAOYSA-N
XLogP3.34
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[[2-(2-methylphenyl)acetyl]-propan-2-ylamino]acetate
CID 61021189
ethyl 2-[[2-(3-aminophenyl)acetyl]-propan-2-ylamino]acetate
CID 62498045
ethyl 2-[(4-chloro-2-nitrophenyl)methyl-propan-2-ylamino]acetate
CID 62102439
ethyl 2-[(2,4-dichlorophenyl)methylsulfanyl]acetate
CID 5128433
2-(2,4-dichlorophenyl)-N-methylacetohydrazide
CID 116844869
ethyl 2-[[2-(2-chlorophenoxy)acetyl]-propan-2-ylamino]acetate
CID 61022317
ethyl 2-[(2,4-dichlorophenyl)methylamino]acetate
CID 60680818
ethyl 2-[(3-chlorothiophene-2-carbonyl)-propan-2-ylamino]acetate
CID 80641031
ethyl 2-[(2,3-dichlorobenzoyl)-propan-2-ylamino]acetate
CID 61022668
ethyl 2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetate
CID 60775299
(2S)-2-[[2-(2,4-dichlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100698006
ethyl 2-[(2-chloro-5-methylsulfanylbenzoyl)-propan-2-ylamino]acetate
CID 61022655

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[[2-(2,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetate (CID 19778949) is ethyl 2-[[2-(2,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[[2-(2,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[[2-(2,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetate is CCOC(=O)CN(C(=O)Cc1ccc(Cl)cc1Cl)C(C)C.
What is the InChIKey of ethyl 2-[[2-(2,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetate?
The InChIKey is TUGKBJDXQMYOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO3/c1-4-21-15(20)9-18(10(2)3)14(19)7-11-5-6-12(16)8-13(11)17/h5-6,8,10H,4,7,9H2,1-3H3.
What are the key properties of ethyl 2-[[2-(2,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetate?
ethyl 2-[[2-(2,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetate has a molecular weight of 332.23 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetate is sourced from PubChem (CID 19778949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).