methyl 2-[[2-[5-chloro-2-(2,2-dimethylpropylamino)phenyl]-2-(2-chlorophenyl)ethyl]amino]acetate

C22H28Cl2N2O2 — CID 21465884

IUPACmethyl 2-[[2-[5-chloro-2-(2,2-dimethylpropylamino)phenyl]-2-(2-chlorophenyl)ethyl]amino]acetate
SMILESCOC(=O)CNCC(c1ccccc1Cl)c1cc(Cl)ccc1NCC(C)(C)C
InChIInChI=1S/C22H28Cl2N2O2/c1-22(2,3)14-26-20-10-9-15(23)11-17(20)18(12-25-13-21(27)28-4)16-7-5-6-8-19(16)24/h5-11,18,25-26H,12-14H2,1-4H3
InChIKeyAQYSVCNIPINFHD-UHFFFAOYSA-N
MW423.38 g/mol
LogP5.35
Rot. Bonds8

About methyl 2-[[2-[5-chloro-2-(2,2-dimethylpropylamino)phenyl]-2-(2-chlorophenyl)ethyl]amino]acetate

methyl 2-[[2-[5-chloro-2-(2,2-dimethylpropylamino)phenyl]-2-(2-chlorophenyl)ethyl]amino]acetate (PubChem CID 21465884) has the molecular formula C22H28Cl2N2O2 and a molecular weight of 423.38 g/mol. Its IUPAC name is methyl 2-[[2-[5-chloro-2-(2,2-dimethylpropylamino)phenyl]-2-(2-chlorophenyl)ethyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[5-chloro-2-(2,2-dimethylpropylamino)phenyl]-2-(2-chlorophenyl)ethyl]amino]acetate
PubChem CID21465884
Molecular FormulaC22H28Cl2N2O2
Molecular Weight423.38 g/mol
Exact Mass422.15
IUPAC Namemethyl 2-[[2-[5-chloro-2-(2,2-dimethylpropylamino)phenyl]-2-(2-chlorophenyl)ethyl]amino]acetate
SMILESCOC(=O)CNCC(c1ccccc1Cl)c1cc(Cl)ccc1NCC(C)(C)C
InChIInChI=1S/C22H28Cl2N2O2/c1-22(2,3)14-26-20-10-9-15(23)11-17(20)18(12-25-13-21(27)28-4)16-7-5-6-8-19(16)24/h5-11,18,25-26H,12-14H2,1-4H3
InChIKeyAQYSVCNIPINFHD-UHFFFAOYSA-N
XLogP5.35
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.38
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[2-[5-chloro-2-(2,2-dimethylpropylamino)phenyl]-2-(2-chlorophenyl)ethyl]amino]acetate with MolForge

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Related Compounds

methyl 2-[[(R)-(2-acetamido-5-chlorophenyl)-phenylmethyl]amino]acetate
CID 788320
[5-chloro-2-(2,2-dimethylpropylamino)phenyl]-(2-phenylmethoxyphenyl)methanol
CID 23110461
(S)-(2-chlorophenyl)-[5-chloro-2-(propylamino)phenyl]methanol
CID 101151784
2-[4-chloro-2-[hydroxy(phenyl)methyl]anilino]-1-pyrrolidin-1-ylethanone
CID 122150652
methyl 2-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]acetate
CID 60649077
methyl 2-(2-bromo-4-chloroanilino)acetate
CID 80978880
methyl 2-(2-acetamido-5-chloroanilino)acetate
CID 60603139
methyl 2-[(2,4-dichlorophenyl)-phenylmethoxy]acetate
CID 57295323
methyl 2-[[(S)-[5-chloro-2-[(2,4,5-trimethoxybenzoyl)amino]phenyl]-phenylmethyl]amino]acetate
CID 124740111
methyl 2-[[(R)-[5-chloro-2-[(2,4,5-trimethoxybenzoyl)amino]phenyl]-phenylmethyl]amino]acetate
CID 124740110
methyl 2-[[(2-chlorophenyl)-(4-methylphenyl)methyl]amino]acetate
CID 132517124
methyl (2R)-2-(2-chlorophenyl)-2-(2,5-dichlorophenyl)sulfonyloxyacetate
CID 87948366

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[5-chloro-2-(2,2-dimethylpropylamino)phenyl]-2-(2-chlorophenyl)ethyl]amino]acetate?
The IUPAC name of methyl 2-[[2-[5-chloro-2-(2,2-dimethylpropylamino)phenyl]-2-(2-chlorophenyl)ethyl]amino]acetate (CID 21465884) is methyl 2-[[2-[5-chloro-2-(2,2-dimethylpropylamino)phenyl]-2-(2-chlorophenyl)ethyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-[5-chloro-2-(2,2-dimethylpropylamino)phenyl]-2-(2-chlorophenyl)ethyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-[5-chloro-2-(2,2-dimethylpropylamino)phenyl]-2-(2-chlorophenyl)ethyl]amino]acetate is COC(=O)CNCC(c1ccccc1Cl)c1cc(Cl)ccc1NCC(C)(C)C.
What is the InChIKey of methyl 2-[[2-[5-chloro-2-(2,2-dimethylpropylamino)phenyl]-2-(2-chlorophenyl)ethyl]amino]acetate?
The InChIKey is AQYSVCNIPINFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28Cl2N2O2/c1-22(2,3)14-26-20-10-9-15(23)11-17(20)18(12-25-13-21(27)28-4)16-7-5-6-8-19(16)24/h5-11,18,25-26H,12-14H2,1-4H3.
What are the key properties of methyl 2-[[2-[5-chloro-2-(2,2-dimethylpropylamino)phenyl]-2-(2-chlorophenyl)ethyl]amino]acetate?
methyl 2-[[2-[5-chloro-2-(2,2-dimethylpropylamino)phenyl]-2-(2-chlorophenyl)ethyl]amino]acetate has a molecular weight of 423.38 g/mol, XLogP of 5.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[5-chloro-2-(2,2-dimethylpropylamino)phenyl]-2-(2-chlorophenyl)ethyl]amino]acetate is sourced from PubChem (CID 21465884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).