[(1R)-1-cyanoethyl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate

C19H24N2O5 — CID 7812116

IUPAC[(1R)-1-cyanoethyl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate
SMILESCOc1cc(NC(=O)C2CCCCC2)c(C(=O)O[C@H](C)C#N)cc1OC
InChIInChI=1S/C19H24N2O5/c1-12(11-20)26-19(23)14-9-16(24-2)17(25-3)10-15(14)21-18(22)13-7-5-4-6-8-13/h9-10,12-13H,4-8H2,1-3H3,(H,21,22)/t12-/m1/s1
InChIKeyRHYUJKPUZSINOT-GFCCVEGCSA-N
MW360.41 g/mol
LogP3.29
Rot. Bonds6

About [(1R)-1-cyanoethyl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate

[(1R)-1-cyanoethyl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate (PubChem CID 7812116) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is [(1R)-1-cyanoethyl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate.

Molecular Properties

Compound Name[(1R)-1-cyanoethyl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate
PubChem CID7812116
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Name[(1R)-1-cyanoethyl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate
SMILESCOc1cc(NC(=O)C2CCCCC2)c(C(=O)O[C@H](C)C#N)cc1OC
InChIInChI=1S/C19H24N2O5/c1-12(11-20)26-19(23)14-9-16(24-2)17(25-3)10-15(14)21-18(22)13-7-5-4-6-8-13/h9-10,12-13H,4-8H2,1-3H3,(H,21,22)/t12-/m1/s1
InChIKeyRHYUJKPUZSINOT-GFCCVEGCSA-N
XLogP3.29
TPSA97.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(1R)-1-cyanoethyl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-amino-2-oxoethyl) 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate
CID 7812130
[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-(cyclopentanecarbonylamino)-4,5-dimethoxybenzoate
CID 42982196
[(3R)-2-oxooxolan-3-yl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate
CID 7812138
[1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2-(cyclopentanecarbonylamino)-4,5-dimethoxybenzoate
CID 16578000
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate
CID 42980762
methyl 4,5-dimethoxy-2-(piperidine-3-carbonylamino)benzoate;hydrochloride
CID 119265013
N-[4-[4-(cyclohexanecarbonylamino)-3-methoxyphenyl]-2-methoxyphenyl]cyclohexanecarboxamide
CID 3502281
methyl 2-[(1,1-dioxothiolane-3-carbonyl)amino]-4,5-dimethoxybenzoate
CID 16566473
methyl 4,5-dimethoxy-2-(pyrrolidine-3-carbonylamino)benzoate;hydrochloride
CID 119677781
methyl 4-(difluoromethoxy)-5-methoxy-2-(oxane-4-carbonylamino)benzoate
CID 52555320
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate
CID 46658344
N-[2-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-4,5-dimethoxyphenyl]cyclohexanecarboxamide
CID 25465826

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-cyanoethyl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate?
The IUPAC name of [(1R)-1-cyanoethyl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate (CID 7812116) is [(1R)-1-cyanoethyl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate.
What is the SMILES notation for [(1R)-1-cyanoethyl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate?
The canonical SMILES for [(1R)-1-cyanoethyl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate is COc1cc(NC(=O)C2CCCCC2)c(C(=O)O[C@H](C)C#N)cc1OC.
What is the InChIKey of [(1R)-1-cyanoethyl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate?
The InChIKey is RHYUJKPUZSINOT-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-12(11-20)26-19(23)14-9-16(24-2)17(25-3)10-15(14)21-18(22)13-7-5-4-6-8-13/h9-10,12-13H,4-8H2,1-3H3,(H,21,22)/t12-/m1/s1.
What are the key properties of [(1R)-1-cyanoethyl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate?
[(1R)-1-cyanoethyl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate has a molecular weight of 360.41 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-cyanoethyl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate is sourced from PubChem (CID 7812116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).