methyl 2-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate

C17H21Cl2NO4 — CID 108767599

IUPACmethyl 2-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCCC1CNC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H21Cl2NO4/c1-23-17(22)13-5-3-2-4-11(13)9-20-16(21)10-24-15-7-6-12(18)8-14(15)19/h6-8,11,13H,2-5,9-10H2,1H3,(H,20,21)
InChIKeyJWKJFSRXOVLWHM-UHFFFAOYSA-N
MW374.26 g/mol
LogP3.47
Rot. Bonds6

About methyl 2-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate

methyl 2-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate (PubChem CID 108767599) has the molecular formula C17H21Cl2NO4 and a molecular weight of 374.26 g/mol. Its IUPAC name is methyl 2-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate
PubChem CID108767599
Molecular FormulaC17H21Cl2NO4
Molecular Weight374.26 g/mol
Exact Mass373.08
IUPAC Namemethyl 2-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCCC1CNC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H21Cl2NO4/c1-23-17(22)13-5-3-2-4-11(13)9-20-16(21)10-24-15-7-6-12(18)8-14(15)19/h6-8,11,13H,2-5,9-10H2,1H3,(H,20,21)
InChIKeyJWKJFSRXOVLWHM-UHFFFAOYSA-N
XLogP3.47
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.26
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate with MolForge

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Related Compounds

methyl 2-[[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate
CID 108767585
N-cyclopentyl-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]acetamide
CID 112990888
methyl 2-[[2-(2-bromo-4-chlorophenoxy)propanoylamino]methyl]cyclohexane-1-carboxylate
CID 108767593
2-(2,4-dichlorophenoxy)-N-[(1S,2R)-2-(methoxymethyl)cyclopentyl]acetamide
CID 133134780
cis-(1R,2S)-2-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]cyclohexane-1-carboxylic acid
CID 40546144
2-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]cyclohexane-1-carboxylic acid
CID 5227187
methyl 2-[[[2-(3-propan-2-ylphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate
CID 108745280
N-cyclopentyloxy-2-(2,4-dichlorophenoxy)acetamide
CID 83202778
trans-(1S,2R)-2-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 108755772
4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]-N,N-dimethylpiperidine-1-carboxamide
CID 126853022
5-chloro-2-[2-(cyclohexylmethylamino)-2-oxoethoxy]benzamide
CID 9463555
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-(2,4-dichlorophenoxy)acetamide
CID 60604909

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 2-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate (CID 108767599) is methyl 2-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 2-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 2-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate is COC(=O)C1CCCCC1CNC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of methyl 2-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate?
The InChIKey is JWKJFSRXOVLWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2NO4/c1-23-17(22)13-5-3-2-4-11(13)9-20-16(21)10-24-15-7-6-12(18)8-14(15)19/h6-8,11,13H,2-5,9-10H2,1H3,(H,20,21).
What are the key properties of methyl 2-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate?
methyl 2-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate has a molecular weight of 374.26 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 108767599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).