[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetate

C19H24ClNO5 — CID 55471727

IUPAC[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetate
SMILESCC1CCCCC1NC(=O)COC(=O)Cc1cc(Cl)c2c(c1)OCCO2
InChIInChI=1S/C19H24ClNO5/c1-12-4-2-3-5-15(12)21-17(22)11-26-18(23)10-13-8-14(20)19-16(9-13)24-6-7-25-19/h8-9,12,15H,2-7,10-11H2,1H3,(H,21,22)
InChIKeyWWMZPRLJWYHFJV-UHFFFAOYSA-N
MW381.86 g/mol
LogP2.89
Rot. Bonds5

About [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetate

[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetate (PubChem CID 55471727) has the molecular formula C19H24ClNO5 and a molecular weight of 381.86 g/mol. Its IUPAC name is [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetate.

Molecular Properties

Compound Name[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetate
PubChem CID55471727
Molecular FormulaC19H24ClNO5
Molecular Weight381.86 g/mol
Exact Mass381.13
IUPAC Name[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetate
SMILESCC1CCCCC1NC(=O)COC(=O)Cc1cc(Cl)c2c(c1)OCCO2
InChIInChI=1S/C19H24ClNO5/c1-12-4-2-3-5-15(12)21-17(22)11-26-18(23)10-13-8-14(20)19-16(9-13)24-6-7-25-19/h8-9,12,15H,2-7,10-11H2,1H3,(H,21,22)
InChIKeyWWMZPRLJWYHFJV-UHFFFAOYSA-N
XLogP2.89
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetate with MolForge

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Related Compounds

[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate
CID 8655306
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate
CID 8655295
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2605978
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] (E)-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoate
CID 8661079
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120554213
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 8613028
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2556131
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 2580084
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 7766228
[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetate
CID 55480759
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-methylcyclopentan-1-amine
CID 55173003
2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-cyclopropylacetamide
CID 27005607

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetate?
The IUPAC name of [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetate (CID 55471727) is [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetate.
What is the SMILES notation for [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetate?
The canonical SMILES for [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetate is CC1CCCCC1NC(=O)COC(=O)Cc1cc(Cl)c2c(c1)OCCO2.
What is the InChIKey of [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetate?
The InChIKey is WWMZPRLJWYHFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO5/c1-12-4-2-3-5-15(12)21-17(22)11-26-18(23)10-13-8-14(20)19-16(9-13)24-6-7-25-19/h8-9,12,15H,2-7,10-11H2,1H3,(H,21,22).
What are the key properties of [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetate?
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetate has a molecular weight of 381.86 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetate is sourced from PubChem (CID 55471727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).