methyl 2-[[2-(3,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetate

C14H17Cl2NO3 — CID 60766581

IUPACmethyl 2-[[2-(3,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)Cc1ccc(Cl)c(Cl)c1)C(C)C
InChIInChI=1S/C14H17Cl2NO3/c1-9(2)17(8-14(19)20-3)13(18)7-10-4-5-11(15)12(16)6-10/h4-6,9H,7-8H2,1-3H3
InChIKeyXNKLMUVCGZVZFB-UHFFFAOYSA-N
MW318.20 g/mol
LogP2.95
Rot. Bonds5

About methyl 2-[[2-(3,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetate

methyl 2-[[2-(3,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetate (PubChem CID 60766581) has the molecular formula C14H17Cl2NO3 and a molecular weight of 318.20 g/mol. Its IUPAC name is methyl 2-[[2-(3,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(3,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetate
PubChem CID60766581
Molecular FormulaC14H17Cl2NO3
Molecular Weight318.20 g/mol
Exact Mass317.06
IUPAC Namemethyl 2-[[2-(3,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)Cc1ccc(Cl)c(Cl)c1)C(C)C
InChIInChI=1S/C14H17Cl2NO3/c1-9(2)17(8-14(19)20-3)13(18)7-10-4-5-11(15)12(16)6-10/h4-6,9H,7-8H2,1-3H3
InChIKeyXNKLMUVCGZVZFB-UHFFFAOYSA-N
XLogP2.95
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetic acid
CID 60832402
methyl 2-[[2-[4-(2-methylpropyl)phenyl]acetyl]-propan-2-ylamino]acetate
CID 78884649
methyl 2-[[2-(4-phenylphenyl)acetyl]-propan-2-ylamino]acetate
CID 78878003
methyl 2-[(3,4-dichlorophenyl)methyl-methylamino]acetate
CID 60670410
3-[[2-(3,4-dichlorophenyl)acetyl]-ethylamino]butanoic acid
CID 62822279
N-tert-butyl-2-[[2-(3,4-dichlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132717324
2-(3,4-dichlorophenyl)-N,N-dimethylacetamide
CID 14740023
2-[(3,4-dichlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-methylpropanamide
CID 132663475
(2R)-2-[(2-chlorophenyl)methyl-[2-(3,4-dichlorophenyl)acetyl]amino]-N-propan-2-ylpropanamide
CID 100676603
2-[benzyl-[2-(3,4-dichlorophenyl)acetyl]amino]-N-methylpropanamide
CID 132656904
N-butan-2-yl-2-[[2-(3,4-dichlorophenyl)acetyl]-[(3,4-dichlorophenyl)methyl]amino]propanamide
CID 132986279
2-[[2-(3,4-dichlorophenyl)acetyl]-[(3,4-dichlorophenyl)methyl]amino]-N-propan-2-ylbutanamide
CID 132986033

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(3,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[[2-(3,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetate (CID 60766581) is methyl 2-[[2-(3,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[[2-(3,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[[2-(3,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetate is COC(=O)CN(C(=O)Cc1ccc(Cl)c(Cl)c1)C(C)C.
What is the InChIKey of methyl 2-[[2-(3,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetate?
The InChIKey is XNKLMUVCGZVZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO3/c1-9(2)17(8-14(19)20-3)13(18)7-10-4-5-11(15)12(16)6-10/h4-6,9H,7-8H2,1-3H3.
What are the key properties of methyl 2-[[2-(3,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetate?
methyl 2-[[2-(3,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetate has a molecular weight of 318.20 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(3,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetate is sourced from PubChem (CID 60766581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).