cis-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate

C17H22N2O4 — CID 7778232

IUPACcis-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
SMILESCc1cccc(NC(=O)CNC(=O)COC(=O)[C@H]2C[C@H]2C)c1C
InChIInChI=1S/C17H22N2O4/c1-10-5-4-6-14(12(10)3)19-15(20)8-18-16(21)9-23-17(22)13-7-11(13)2/h4-6,11,13H,7-9H2,1-3H3,(H,18,21)(H,19,20)/t11-,13+/m1/s1
InChIKeyKZWQLMHDGATOER-YPMHNXCESA-N
MW318.37 g/mol
LogP1.56
Rot. Bonds6

About cis-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate

cis-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate (PubChem CID 7778232) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is cis-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
PubChem CID7778232
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Namecis-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
SMILESCc1cccc(NC(=O)CNC(=O)COC(=O)[C@H]2C[C@H]2C)c1C
InChIInChI=1S/C17H22N2O4/c1-10-5-4-6-14(12(10)3)19-15(20)8-18-16(21)9-23-17(22)13-7-11(13)2/h4-6,11,13H,7-9H2,1-3H3,(H,18,21)(H,19,20)/t11-,13+/m1/s1
InChIKeyKZWQLMHDGATOER-YPMHNXCESA-N
XLogP1.56
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cis-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate with MolForge

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Related Compounds

trans-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 9230482
trans-[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 9230463
cis-[2-[(2-methylphenyl)methylamino]-2-oxoethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 9230512
2-[(2-bromoacetyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 55246569
cis-[2-(2,3-dichloroanilino)-2-oxoethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 8020700
trans-[2-(2-fluoroanilino)-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 2356465
[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate
CID 7146879
N-(2,3-dimethylphenyl)-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]acetamide
CID 8929915
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-methylcyclopropane-1-carboxylate
CID 3515684
[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-methoxybenzoate
CID 7862075
N-(2,3-dimethylphenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 27808986
ethyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate
CID 112996724

Frequently Asked Questions

What is the IUPAC name of cis-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate?
The IUPAC name of cis-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate (CID 7778232) is cis-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate.
What is the SMILES notation for cis-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate?
The canonical SMILES for cis-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate is Cc1cccc(NC(=O)CNC(=O)COC(=O)[C@H]2C[C@H]2C)c1C.
What is the InChIKey of cis-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate?
The InChIKey is KZWQLMHDGATOER-YPMHNXCESA-N. The full InChI is InChI=1S/C17H22N2O4/c1-10-5-4-6-14(12(10)3)19-15(20)8-18-16(21)9-23-17(22)13-7-11(13)2/h4-6,11,13H,7-9H2,1-3H3,(H,18,21)(H,19,20)/t11-,13+/m1/s1.
What are the key properties of cis-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate?
cis-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate has a molecular weight of 318.37 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 7778232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).