methyl 5-[[4-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]-2-methylphenoxy]methyl]furan-2-carboxylate

C26H26N2O6 — CID 11385690

IUPACmethyl 5-[[4-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]-2-methylphenoxy]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COc2ccc(C(=O)Nc3cc(C(=O)NC4CC4)ccc3C)cc2C)o1
InChIInChI=1S/C26H26N2O6/c1-15-4-5-18(24(29)27-19-7-8-19)13-21(15)28-25(30)17-6-10-22(16(2)12-17)33-14-20-9-11-23(34-20)26(31)32-3/h4-6,9-13,19H,7-8,14H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyPRDVYKLAJQXOCO-UHFFFAOYSA-N
MW462.50 g/mol
LogP4.41
Rot. Bonds8

About methyl 5-[[4-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]-2-methylphenoxy]methyl]furan-2-carboxylate

methyl 5-[[4-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]-2-methylphenoxy]methyl]furan-2-carboxylate (PubChem CID 11385690) has the molecular formula C26H26N2O6 and a molecular weight of 462.50 g/mol. Its IUPAC name is methyl 5-[[4-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]-2-methylphenoxy]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[4-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]-2-methylphenoxy]methyl]furan-2-carboxylate
PubChem CID11385690
Molecular FormulaC26H26N2O6
Molecular Weight462.50 g/mol
Exact Mass462.18
IUPAC Namemethyl 5-[[4-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]-2-methylphenoxy]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COc2ccc(C(=O)Nc3cc(C(=O)NC4CC4)ccc3C)cc2C)o1
InChIInChI=1S/C26H26N2O6/c1-15-4-5-18(24(29)27-19-7-8-19)13-21(15)28-25(30)17-6-10-22(16(2)12-17)33-14-20-9-11-23(34-20)26(31)32-3/h4-6,9-13,19H,7-8,14H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyPRDVYKLAJQXOCO-UHFFFAOYSA-N
XLogP4.41
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.50
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 5-[[4-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]-2-methylphenoxy]methyl]furan-2-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

N-cyclopropyl-4-methyl-3-[[3-methyl-4-(1,2,5-thiadiazol-3-ylmethoxy)benzoyl]amino]benzamide
CID 11258737
4-[[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119230206
N-cyclopropyl-3-[[3-methoxy-4-(pyridin-2-ylmethoxy)benzoyl]amino]-4-methylbenzamide
CID 11419031
5-[(4-chloro-2-methylphenoxy)methyl]-N-cyclohexylfuran-2-carboxamide
CID 19457491
N-cyclopropyl-3-[[3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoyl]amino]-4-methylbenzamide
CID 55786328
N-cyclopentyl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452624
5-[(4-chloro-2-methylphenoxy)methyl]-N-(1-methylpiperidin-4-yl)furan-2-carboxamide
CID 19457527
N-cyclobutyl-4-methoxy-3-methylbenzamide
CID 121342416
methyl 4-[[5-(cyclododecylcarbamoyl)furan-2-yl]methoxy]benzoate
CID 17024109
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide;hydrochloride
CID 119458931
3-[(2-chloroacetyl)amino]-N-cyclopropyl-4-methylbenzamide
CID 11265619
5-[(2,4-dimethylphenoxy)methyl]-N-(2-methylpiperidin-4-yl)furan-2-carboxamide
CID 120600343

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[4-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]-2-methylphenoxy]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[4-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]-2-methylphenoxy]methyl]furan-2-carboxylate (CID 11385690) is methyl 5-[[4-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]-2-methylphenoxy]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[4-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]-2-methylphenoxy]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[4-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]-2-methylphenoxy]methyl]furan-2-carboxylate is COC(=O)c1ccc(COc2ccc(C(=O)Nc3cc(C(=O)NC4CC4)ccc3C)cc2C)o1.
What is the InChIKey of methyl 5-[[4-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]-2-methylphenoxy]methyl]furan-2-carboxylate?
The InChIKey is PRDVYKLAJQXOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O6/c1-15-4-5-18(24(29)27-19-7-8-19)13-21(15)28-25(30)17-6-10-22(16(2)12-17)33-14-20-9-11-23(34-20)26(31)32-3/h4-6,9-13,19H,7-8,14H2,1-3H3,(H,27,29)(H,28,30).
What are the key properties of methyl 5-[[4-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]-2-methylphenoxy]methyl]furan-2-carboxylate?
methyl 5-[[4-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]-2-methylphenoxy]methyl]furan-2-carboxylate has a molecular weight of 462.50 g/mol, XLogP of 4.41, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[4-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]-2-methylphenoxy]methyl]furan-2-carboxylate is sourced from PubChem (CID 11385690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).