N-(1,3-benzodioxol-5-yl)-N-[(1R)-2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide

C26H26N2O6 — CID 1469243

IUPACN-(1,3-benzodioxol-5-yl)-N-[(1R)-2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide
SMILESCOc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc3c(c2)OCO3)c1
InChIInChI=1S/C26H26N2O6/c1-31-20-9-4-6-17(14-20)24(25(29)27-18-7-2-3-8-18)28(26(30)22-10-5-13-32-22)19-11-12-21-23(15-19)34-16-33-21/h4-6,9-15,18,24H,2-3,7-8,16H2,1H3,(H,27,29)/t24-/m1/s1
InChIKeyWEIXJXCFWJDBBU-XMMPIXPASA-N
MW462.50 g/mol
LogP4.46
Rot. Bonds7

About N-(1,3-benzodioxol-5-yl)-N-[(1R)-2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide

N-(1,3-benzodioxol-5-yl)-N-[(1R)-2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide (PubChem CID 1469243) has the molecular formula C26H26N2O6 and a molecular weight of 462.50 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-N-[(1R)-2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-N-[(1R)-2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide
PubChem CID1469243
Molecular FormulaC26H26N2O6
Molecular Weight462.50 g/mol
Exact Mass462.18
IUPAC NameN-(1,3-benzodioxol-5-yl)-N-[(1R)-2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide
SMILESCOc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc3c(c2)OCO3)c1
InChIInChI=1S/C26H26N2O6/c1-31-20-9-4-6-17(14-20)24(25(29)27-18-7-2-3-8-18)28(26(30)22-10-5-13-32-22)19-11-12-21-23(15-19)34-16-33-21/h4-6,9-15,18,24H,2-3,7-8,16H2,1H3,(H,27,29)/t24-/m1/s1
InChIKeyWEIXJXCFWJDBBU-XMMPIXPASA-N
XLogP4.46
TPSA90.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.50
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1,3-benzodioxol-5-yl)-N-[(1R)-2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide 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-(1,3-benzodioxol-5-yl)-N-[(1S)-2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]furan-2-carboxamide
CID 25311435
N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide
CID 3196708
N-(1,3-benzodioxol-5-yl)-N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]furan-2-carboxamide
CID 3196461
N-(1,3-benzodioxol-5-ylmethyl)-N-[(1S)-2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide
CID 6557954
N-(1,3-benzodioxol-5-yl)-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide
CID 1469055
N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2-ethylphenyl)furan-2-carboxamide
CID 3196667
N-(1,3-benzodioxol-5-yl)-N-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide
CID 3191266
N-[(1S)-2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-(3-methoxyphenyl)furan-2-carboxamide
CID 40624258
N-(1,3-benzodioxol-5-yl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]furan-2-carboxamide
CID 3196538
N-[2-(cyclohexylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide
CID 3191332
(2R)-2-[1,3-benzodioxol-5-yl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 25309769
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide
CID 3196499

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-N-[(1R)-2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-N-[(1R)-2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide (CID 1469243) is N-(1,3-benzodioxol-5-yl)-N-[(1R)-2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-N-[(1R)-2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-N-[(1R)-2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide is COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc3c(c2)OCO3)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-N-[(1R)-2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide?
The InChIKey is WEIXJXCFWJDBBU-XMMPIXPASA-N. The full InChI is InChI=1S/C26H26N2O6/c1-31-20-9-4-6-17(14-20)24(25(29)27-18-7-2-3-8-18)28(26(30)22-10-5-13-32-22)19-11-12-21-23(15-19)34-16-33-21/h4-6,9-15,18,24H,2-3,7-8,16H2,1H3,(H,27,29)/t24-/m1/s1.
What are the key properties of N-(1,3-benzodioxol-5-yl)-N-[(1R)-2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide?
N-(1,3-benzodioxol-5-yl)-N-[(1R)-2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 462.50 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-N-[(1R)-2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 1469243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).