[2-(cyclohexanecarbonylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate

C20H26ClNO6 — CID 55311594

IUPAC[2-(cyclohexanecarbonylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate
SMILESCCCOc1c(Cl)cc(C(=O)OCC(=O)NC(=O)C2CCCCC2)cc1OC
InChIInChI=1S/C20H26ClNO6/c1-3-9-27-18-15(21)10-14(11-16(18)26-2)20(25)28-12-17(23)22-19(24)13-7-5-4-6-8-13/h10-11,13H,3-9,12H2,1-2H3,(H,22,23,24)
InChIKeyWTUFZOPWQYWORB-UHFFFAOYSA-N
MW411.88 g/mol
LogP3.52
Rot. Bonds8

About [2-(cyclohexanecarbonylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate

[2-(cyclohexanecarbonylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate (PubChem CID 55311594) has the molecular formula C20H26ClNO6 and a molecular weight of 411.88 g/mol. Its IUPAC name is [2-(cyclohexanecarbonylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate.

Molecular Properties

Compound Name[2-(cyclohexanecarbonylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate
PubChem CID55311594
Molecular FormulaC20H26ClNO6
Molecular Weight411.88 g/mol
Exact Mass411.14
IUPAC Name[2-(cyclohexanecarbonylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate
SMILESCCCOc1c(Cl)cc(C(=O)OCC(=O)NC(=O)C2CCCCC2)cc1OC
InChIInChI=1S/C20H26ClNO6/c1-3-9-27-18-15(21)10-14(11-16(18)26-2)20(25)28-12-17(23)22-19(24)13-7-5-4-6-8-13/h10-11,13H,3-9,12H2,1-2H3,(H,22,23,24)
InChIKeyWTUFZOPWQYWORB-UHFFFAOYSA-N
XLogP3.52
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.88
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(cyclohexanecarbonylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate with MolForge

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Related Compounds

[2-(cyclohexanecarbonylamino)-2-oxoethyl] 4-butoxy-3-methoxybenzoate
CID 55306524
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate
CID 7684085
[2-[di(propan-2-yl)amino]-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate
CID 55311387
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-butoxy-3-chloro-5-methoxybenzoate
CID 7952401
[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 7681472
[2-(cyclohexanecarbonylamino)-2-oxoethyl] (E)-3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoate
CID 55309883
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate
CID 42486896
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate
CID 42486611
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate
CID 8510147
[2-(4-cyanoanilino)-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate
CID 7684145
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate
CID 55401581
[2-(ethylcarbamoylamino)-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7253748

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexanecarbonylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate?
The IUPAC name of [2-(cyclohexanecarbonylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate (CID 55311594) is [2-(cyclohexanecarbonylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate.
What is the SMILES notation for [2-(cyclohexanecarbonylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate?
The canonical SMILES for [2-(cyclohexanecarbonylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate is CCCOc1c(Cl)cc(C(=O)OCC(=O)NC(=O)C2CCCCC2)cc1OC.
What is the InChIKey of [2-(cyclohexanecarbonylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate?
The InChIKey is WTUFZOPWQYWORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClNO6/c1-3-9-27-18-15(21)10-14(11-16(18)26-2)20(25)28-12-17(23)22-19(24)13-7-5-4-6-8-13/h10-11,13H,3-9,12H2,1-2H3,(H,22,23,24).
What are the key properties of [2-(cyclohexanecarbonylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate?
[2-(cyclohexanecarbonylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate has a molecular weight of 411.88 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexanecarbonylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate is sourced from PubChem (CID 55311594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).