methyl 3-[[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-(furan-2-carbonyl)amino]benzoate

C30H33N3O6 — CID 3196422

IUPACmethyl 3-[[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-(furan-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C30H33N3O6/c1-37-30(36)22-6-4-9-25(20-22)33(29(35)26-10-5-17-39-26)27(28(34)31-23-7-2-3-8-23)21-11-13-24(14-12-21)32-15-18-38-19-16-32/h4-6,9-14,17,20,23,27H,2-3,7-8,15-16,18-19H2,1H3,(H,31,34)
InChIKeyZBPYABJTGCRYFS-UHFFFAOYSA-N
MW531.61 g/mol
LogP4.35
Rot. Bonds8

About methyl 3-[[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-(furan-2-carbonyl)amino]benzoate

methyl 3-[[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-(furan-2-carbonyl)amino]benzoate (PubChem CID 3196422) has the molecular formula C30H33N3O6 and a molecular weight of 531.61 g/mol. Its IUPAC name is methyl 3-[[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-(furan-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-(furan-2-carbonyl)amino]benzoate
PubChem CID3196422
Molecular FormulaC30H33N3O6
Molecular Weight531.61 g/mol
Exact Mass531.24
IUPAC Namemethyl 3-[[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-(furan-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C30H33N3O6/c1-37-30(36)22-6-4-9-25(20-22)33(29(35)26-10-5-17-39-26)27(28(34)31-23-7-2-3-8-23)21-11-13-24(14-12-21)32-15-18-38-19-16-32/h4-6,9-14,17,20,23,27H,2-3,7-8,15-16,18-19H2,1H3,(H,31,34)
InChIKeyZBPYABJTGCRYFS-UHFFFAOYSA-N
XLogP4.35
TPSA101.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.61
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-[[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-(furan-2-carbonyl)amino]benzoate 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

Benzyl furanyl fentanyl
CID 42853213
Furanylfentanyl
CID 13653606
JW 55
CID 2946601
Arylaminoethyl amide deriv. 17
CID 11419952
Furan-2-carboxamide deriv., 5
CID 44236892
N-[4-(5-{[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl}furan-2-yl)phenyl]-5-methylfuran-2-carboxamide
CID 44236893
N-(4-(((4-(4-Methoxyphenyl)oxan-4-Yl)methyl)carbamoyl)phenyl)-5-Methylfuran-2-Carboxamide
CID 71622125
3-[(2s)-1-Acetyl-4-(Furan-2-Carbonyl)-2-Methyl-1,2,3,4-Tetrahydroquinoxalin-6-Yl]-N-Methylbenzamide
CID 118080305
(4~{R})-1-[4-(4-fluorophenyl)phenyl]-4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 162624754
3-Methylfuranylfentanyl
CID 13653754
N-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 152426927
N-{2-[4-(phenylcarbonyl)piperazin-1-yl]phenyl}furan-2-carboxamide
CID 1087124

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-(furan-2-carbonyl)amino]benzoate?
The IUPAC name of methyl 3-[[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-(furan-2-carbonyl)amino]benzoate (CID 3196422) is methyl 3-[[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-(furan-2-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 3-[[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-(furan-2-carbonyl)amino]benzoate?
The canonical SMILES for methyl 3-[[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-(furan-2-carbonyl)amino]benzoate is COC(=O)c1cccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)c1.
What is the InChIKey of methyl 3-[[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-(furan-2-carbonyl)amino]benzoate?
The InChIKey is ZBPYABJTGCRYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O6/c1-37-30(36)22-6-4-9-25(20-22)33(29(35)26-10-5-17-39-26)27(28(34)31-23-7-2-3-8-23)21-11-13-24(14-12-21)32-15-18-38-19-16-32/h4-6,9-14,17,20,23,27H,2-3,7-8,15-16,18-19H2,1H3,(H,31,34).
What are the key properties of methyl 3-[[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-(furan-2-carbonyl)amino]benzoate?
methyl 3-[[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-(furan-2-carbonyl)amino]benzoate has a molecular weight of 531.61 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-(furan-2-carbonyl)amino]benzoate is sourced from PubChem (CID 3196422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).