methyl 5-[(1-ethoxy-4-methylcyclohexanecarbonyl)amino]-2-methoxybenzoate

C19H27NO5 — CID 100763011

IUPACmethyl 5-[(1-ethoxy-4-methylcyclohexanecarbonyl)amino]-2-methoxybenzoate
SMILESCCOC1(C(=O)Nc2ccc(OC)c(C(=O)OC)c2)CCC(C)CC1
InChIInChI=1S/C19H27NO5/c1-5-25-19(10-8-13(2)9-11-19)18(22)20-14-6-7-16(23-3)15(12-14)17(21)24-4/h6-7,12-13H,5,8-11H2,1-4H3,(H,20,22)
InChIKeyFPJMWSPBJVEWMM-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.41
Rot. Bonds6

About methyl 5-[(1-ethoxy-4-methylcyclohexanecarbonyl)amino]-2-methoxybenzoate

methyl 5-[(1-ethoxy-4-methylcyclohexanecarbonyl)amino]-2-methoxybenzoate (PubChem CID 100763011) has the molecular formula C19H27NO5 and a molecular weight of 349.43 g/mol. Its IUPAC name is methyl 5-[(1-ethoxy-4-methylcyclohexanecarbonyl)amino]-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 5-[(1-ethoxy-4-methylcyclohexanecarbonyl)amino]-2-methoxybenzoate
PubChem CID100763011
Molecular FormulaC19H27NO5
Molecular Weight349.43 g/mol
Exact Mass349.19
IUPAC Namemethyl 5-[(1-ethoxy-4-methylcyclohexanecarbonyl)amino]-2-methoxybenzoate
SMILESCCOC1(C(=O)Nc2ccc(OC)c(C(=O)OC)c2)CCC(C)CC1
InChIInChI=1S/C19H27NO5/c1-5-25-19(10-8-13(2)9-11-19)18(22)20-14-6-7-16(23-3)15(12-14)17(21)24-4/h6-7,12-13H,5,8-11H2,1-4H3,(H,20,22)
InChIKeyFPJMWSPBJVEWMM-UHFFFAOYSA-N
XLogP3.41
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-[(1-ethoxy-4-methylcyclohexanecarbonyl)amino]-2-methoxybenzoate with MolForge

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Related Compounds

methyl 2-ethoxy-5-[(1-ethoxy-4-methylcyclohexanecarbonyl)amino]benzoate
CID 100763017
ethyl 5-[(1-ethoxy-4-methylcyclohexanecarbonyl)amino]-2-propoxybenzoate
CID 100763068
methyl 5-[(4-methyl-1-propoxycyclohexanecarbonyl)amino]-2-propan-2-yloxybenzoate
CID 100768405
ethyl 5-[[(1R,3S)-1-ethoxy-3-methylcyclohexanecarbonyl]amino]-2-methoxybenzoate
CID 100762385
methyl 2-ethoxy-5-[(1-ethoxycyclopentanecarbonyl)amino]benzoate
CID 100761596
methyl 2-ethoxy-5-[[(1R,3R)-1-ethoxy-3-methylcyclohexanecarbonyl]amino]benzoate
CID 100762269
methyl 2-ethoxy-5-[(1-ethoxycycloheptanecarbonyl)amino]benzoate
CID 100762098
methyl 5-[[(1R,3R)-1-ethoxy-3-methylcyclohexanecarbonyl]amino]-2-propoxybenzoate
CID 100762284
1-ethoxy-N-(4-methoxy-3,5-dimethylphenyl)-4-methylcyclohexane-1-carboxamide
CID 100734559
N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methyl-1-propoxycyclohexane-1-carboxamide
CID 100768372
ethyl 2-butoxy-5-[(1-methoxy-4-methylcyclohexanecarbonyl)amino]benzoate
CID 100757676
methyl 2-ethoxy-5-[[(1R,3S)-1-methoxy-3-methylcyclohexanecarbonyl]amino]benzoate
CID 100756804

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(1-ethoxy-4-methylcyclohexanecarbonyl)amino]-2-methoxybenzoate?
The IUPAC name of methyl 5-[(1-ethoxy-4-methylcyclohexanecarbonyl)amino]-2-methoxybenzoate (CID 100763011) is methyl 5-[(1-ethoxy-4-methylcyclohexanecarbonyl)amino]-2-methoxybenzoate.
What is the SMILES notation for methyl 5-[(1-ethoxy-4-methylcyclohexanecarbonyl)amino]-2-methoxybenzoate?
The canonical SMILES for methyl 5-[(1-ethoxy-4-methylcyclohexanecarbonyl)amino]-2-methoxybenzoate is CCOC1(C(=O)Nc2ccc(OC)c(C(=O)OC)c2)CCC(C)CC1.
What is the InChIKey of methyl 5-[(1-ethoxy-4-methylcyclohexanecarbonyl)amino]-2-methoxybenzoate?
The InChIKey is FPJMWSPBJVEWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO5/c1-5-25-19(10-8-13(2)9-11-19)18(22)20-14-6-7-16(23-3)15(12-14)17(21)24-4/h6-7,12-13H,5,8-11H2,1-4H3,(H,20,22).
What are the key properties of methyl 5-[(1-ethoxy-4-methylcyclohexanecarbonyl)amino]-2-methoxybenzoate?
methyl 5-[(1-ethoxy-4-methylcyclohexanecarbonyl)amino]-2-methoxybenzoate has a molecular weight of 349.43 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(1-ethoxy-4-methylcyclohexanecarbonyl)amino]-2-methoxybenzoate is sourced from PubChem (CID 100763011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).