methyl 4-ethyl-1-[[4-methoxy-3-[2-[4-(2H-oxet-3-yl)phenyl]ethoxy]benzoyl]amino]cyclohexane-1-carboxylate

C29H35NO6 — CID 140597941

IUPACmethyl 4-ethyl-1-[[4-methoxy-3-[2-[4-(2H-oxet-3-yl)phenyl]ethoxy]benzoyl]amino]cyclohexane-1-carboxylate
SMILESCCC1CCC(NC(=O)c2ccc(OC)c(OCCc3ccc(C4=COC4)cc3)c2)(C(=O)OC)CC1
InChIInChI=1S/C29H35NO6/c1-4-20-11-14-29(15-12-20,28(32)34-3)30-27(31)23-9-10-25(33-2)26(17-23)36-16-13-21-5-7-22(8-6-21)24-18-35-19-24/h5-10,17-18,20H,4,11-16,19H2,1-3H3,(H,30,31)
InChIKeyPCUHQSKETYXQTK-UHFFFAOYSA-N
MW493.60 g/mol
LogP4.93
Rot. Bonds10

About methyl 4-ethyl-1-[[4-methoxy-3-[2-[4-(2H-oxet-3-yl)phenyl]ethoxy]benzoyl]amino]cyclohexane-1-carboxylate

methyl 4-ethyl-1-[[4-methoxy-3-[2-[4-(2H-oxet-3-yl)phenyl]ethoxy]benzoyl]amino]cyclohexane-1-carboxylate (PubChem CID 140597941) has the molecular formula C29H35NO6 and a molecular weight of 493.60 g/mol. Its IUPAC name is methyl 4-ethyl-1-[[4-methoxy-3-[2-[4-(2H-oxet-3-yl)phenyl]ethoxy]benzoyl]amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-ethyl-1-[[4-methoxy-3-[2-[4-(2H-oxet-3-yl)phenyl]ethoxy]benzoyl]amino]cyclohexane-1-carboxylate
PubChem CID140597941
Molecular FormulaC29H35NO6
Molecular Weight493.60 g/mol
Exact Mass493.25
IUPAC Namemethyl 4-ethyl-1-[[4-methoxy-3-[2-[4-(2H-oxet-3-yl)phenyl]ethoxy]benzoyl]amino]cyclohexane-1-carboxylate
SMILESCCC1CCC(NC(=O)c2ccc(OC)c(OCCc3ccc(C4=COC4)cc3)c2)(C(=O)OC)CC1
InChIInChI=1S/C29H35NO6/c1-4-20-11-14-29(15-12-20,28(32)34-3)30-27(31)23-9-10-25(33-2)26(17-23)36-16-13-21-5-7-22(8-6-21)24-18-35-19-24/h5-10,17-18,20H,4,11-16,19H2,1-3H3,(H,30,31)
InChIKeyPCUHQSKETYXQTK-UHFFFAOYSA-N
XLogP4.93
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.60
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-ethyl-1-[[4-methoxy-3-[2-[4-(2H-oxet-3-yl)phenyl]ethoxy]benzoyl]amino]cyclohexane-1-carboxylate 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

methyl 4-hydroxy-1-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]cycloheptane-1-carboxylate
CID 67170000
methyl 1-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-4-methylidenecyclohexane-1-carboxylate
CID 67170182
ethyl 1-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-4-methylcyclohexane-1-carboxylate
CID 67168969
1-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-4-methylcyclohexane-1-carboxylic acid
CID 67168523
4-ethyl-1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 100652190
1-[[4-(2-hydroxyethoxy)-3-(2-phenylethoxy)benzoyl]amino]-4-methylcyclohexane-1-carboxylic acid
CID 67170994
4-ethyl-1-[[3-[2-(3-methylphenyl)ethoxy]-4-(oxetan-3-yl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 67170579
methyl 1-[(5-bromo-6-methoxypyridine-3-carbonyl)amino]-4-ethylcyclohexane-1-carboxylate
CID 67169115
3-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]bicyclo[3.2.1]octane-3-carboxylic acid
CID 171353944
1-[[4-(2-methoxyethoxy)-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-4-methylcyclohexane-1-carboxylic acid
CID 67170183
1-[[5-[2-(3-chlorophenyl)ethoxy]-6-methoxypyridine-3-carbonyl]amino]-4-ethylcycloheptane-1-carboxylic acid
CID 123455404
[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 55311750

Frequently Asked Questions

What is the IUPAC name of methyl 4-ethyl-1-[[4-methoxy-3-[2-[4-(2H-oxet-3-yl)phenyl]ethoxy]benzoyl]amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-ethyl-1-[[4-methoxy-3-[2-[4-(2H-oxet-3-yl)phenyl]ethoxy]benzoyl]amino]cyclohexane-1-carboxylate (CID 140597941) is methyl 4-ethyl-1-[[4-methoxy-3-[2-[4-(2H-oxet-3-yl)phenyl]ethoxy]benzoyl]amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-ethyl-1-[[4-methoxy-3-[2-[4-(2H-oxet-3-yl)phenyl]ethoxy]benzoyl]amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-ethyl-1-[[4-methoxy-3-[2-[4-(2H-oxet-3-yl)phenyl]ethoxy]benzoyl]amino]cyclohexane-1-carboxylate is CCC1CCC(NC(=O)c2ccc(OC)c(OCCc3ccc(C4=COC4)cc3)c2)(C(=O)OC)CC1.
What is the InChIKey of methyl 4-ethyl-1-[[4-methoxy-3-[2-[4-(2H-oxet-3-yl)phenyl]ethoxy]benzoyl]amino]cyclohexane-1-carboxylate?
The InChIKey is PCUHQSKETYXQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35NO6/c1-4-20-11-14-29(15-12-20,28(32)34-3)30-27(31)23-9-10-25(33-2)26(17-23)36-16-13-21-5-7-22(8-6-21)24-18-35-19-24/h5-10,17-18,20H,4,11-16,19H2,1-3H3,(H,30,31).
What are the key properties of methyl 4-ethyl-1-[[4-methoxy-3-[2-[4-(2H-oxet-3-yl)phenyl]ethoxy]benzoyl]amino]cyclohexane-1-carboxylate?
methyl 4-ethyl-1-[[4-methoxy-3-[2-[4-(2H-oxet-3-yl)phenyl]ethoxy]benzoyl]amino]cyclohexane-1-carboxylate has a molecular weight of 493.60 g/mol, XLogP of 4.93, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethyl-1-[[4-methoxy-3-[2-[4-(2H-oxet-3-yl)phenyl]ethoxy]benzoyl]amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 140597941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).