N-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl]furan-2-carboxamide

C26H27N3O7 — CID 647312

IUPACN-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(NCC(=O)N(c1ccc2c(c1)OCCO2)C(C(=O)NC1CCCC1)c1ccco1)c1ccco1
InChIInChI=1S/C26H27N3O7/c30-23(16-27-25(31)21-8-4-12-34-21)29(18-9-10-19-22(15-18)36-14-13-35-19)24(20-7-3-11-33-20)26(32)28-17-5-1-2-6-17/h3-4,7-12,15,17,24H,1-2,5-6,13-14,16H2,(H,27,31)(H,28,32)
InChIKeyGPSQQLMZCYVXAK-UHFFFAOYSA-N
MW493.52 g/mol
LogP3.21
Rot. Bonds8

About N-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl]furan-2-carboxamide

N-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 647312) has the molecular formula C26H27N3O7 and a molecular weight of 493.52 g/mol. Its IUPAC name is N-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl]furan-2-carboxamide
PubChem CID647312
Molecular FormulaC26H27N3O7
Molecular Weight493.52 g/mol
Exact Mass493.18
IUPAC NameN-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(NCC(=O)N(c1ccc2c(c1)OCCO2)C(C(=O)NC1CCCC1)c1ccco1)c1ccco1
InChIInChI=1S/C26H27N3O7/c30-23(16-27-25(31)21-8-4-12-34-21)29(18-9-10-19-22(15-18)36-14-13-35-19)24(20-7-3-11-33-20)26(32)28-17-5-1-2-6-17/h3-4,7-12,15,17,24H,1-2,5-6,13-14,16H2,(H,27,31)(H,28,32)
InChIKeyGPSQQLMZCYVXAK-UHFFFAOYSA-N
XLogP3.21
TPSA123.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.52
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl]furan-2-carboxamide with MolForge

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Related Compounds

N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]furan-2-carboxamide
CID 2461510
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethylfuran-2-carboxamide
CID 2650227
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]furan-2-carboxamide
CID 6461351
N-[3-(3,4-dimethoxyanilino)-3-oxopropyl]furan-2-carboxamide
CID 9403695
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 655656
1-(1,3-Benzodioxol-5-yl)-3-[4-(furan-2-ylcarbonyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2955817
Furan-2-carboxylic acid (cyclopentylcarbamoyl-thiophen-2-yl-methyl)-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-amide
CID 644807
Furan-2-carboxylic acid [cyclopentylcarbamoyl-(4-dimethylamino-phenyl)-methyl]-(3,4-dimethoxy-phenyl)-amide
CID 652535
N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide
CID 732534
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylfuran-2-carboxamide
CID 868283
N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-methyl-1-oxopentan-2-yl]furan-2-carboxamide
CID 2956101
2,3-Dihydro-benzo[1,4]dioxine-2-carboxylic acid [cyclohexylcarbamoyl-(5-methyl-furan-2-yl)-methyl]-furan-2-ylmethyl-amide
CID 3188472

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl]furan-2-carboxamide (CID 647312) is N-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl]furan-2-carboxamide is O=C(NCC(=O)N(c1ccc2c(c1)OCCO2)C(C(=O)NC1CCCC1)c1ccco1)c1ccco1.
What is the InChIKey of N-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is GPSQQLMZCYVXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O7/c30-23(16-27-25(31)21-8-4-12-34-21)29(18-9-10-19-22(15-18)36-14-13-35-19)24(20-7-3-11-33-20)26(32)28-17-5-1-2-6-17/h3-4,7-12,15,17,24H,1-2,5-6,13-14,16H2,(H,27,31)(H,28,32).
What are the key properties of N-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl]furan-2-carboxamide?
N-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 493.52 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 647312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).