N-[2-(dimethylamino)ethyl]-3-[(4-ethoxybenzoyl)amino]-N-(furan-2-ylmethyl)-1-benzofuran-2-carboxamide

C27H29N3O5 — CID 20925946

IUPACN-[2-(dimethylamino)ethyl]-3-[(4-ethoxybenzoyl)amino]-N-(furan-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCCOc1ccc(C(=O)Nc2c(C(=O)N(CCN(C)C)Cc3ccco3)oc3ccccc23)cc1
InChIInChI=1S/C27H29N3O5/c1-4-33-20-13-11-19(12-14-20)26(31)28-24-22-9-5-6-10-23(22)35-25(24)27(32)30(16-15-29(2)3)18-21-8-7-17-34-21/h5-14,17H,4,15-16,18H2,1-3H3,(H,28,31)
InChIKeyCUTZTELCFYEOGK-UHFFFAOYSA-N
MW475.55 g/mol
LogP4.88
Rot. Bonds10

About N-[2-(dimethylamino)ethyl]-3-[(4-ethoxybenzoyl)amino]-N-(furan-2-ylmethyl)-1-benzofuran-2-carboxamide

N-[2-(dimethylamino)ethyl]-3-[(4-ethoxybenzoyl)amino]-N-(furan-2-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 20925946) has the molecular formula C27H29N3O5 and a molecular weight of 475.55 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-[(4-ethoxybenzoyl)amino]-N-(furan-2-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-[(4-ethoxybenzoyl)amino]-N-(furan-2-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID20925946
Molecular FormulaC27H29N3O5
Molecular Weight475.55 g/mol
Exact Mass475.21
IUPAC NameN-[2-(dimethylamino)ethyl]-3-[(4-ethoxybenzoyl)amino]-N-(furan-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCCOc1ccc(C(=O)Nc2c(C(=O)N(CCN(C)C)Cc3ccco3)oc3ccccc23)cc1
InChIInChI=1S/C27H29N3O5/c1-4-33-20-13-11-19(12-14-20)26(31)28-24-22-9-5-6-10-23(22)35-25(24)27(32)30(16-15-29(2)3)18-21-8-7-17-34-21/h5-14,17H,4,15-16,18H2,1-3H3,(H,28,31)
InChIKeyCUTZTELCFYEOGK-UHFFFAOYSA-N
XLogP4.88
TPSA88.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-[[4-[furan-2-ylmethyl(methyl)sulfamoyl]benzoyl]amino]-1-benzofuran-2-carboxylate
CID 43947524
3-[(4-fluorobenzoyl)amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 50759331
3-benzamido-N-(4-ethoxyphenyl)-1-benzofuran-2-carboxamide
CID 20875337
3-[(4-ethoxybenzoyl)amino]-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 20875380
3-[(2-ethoxyacetyl)amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 50759321
3-[(3,5-dimethoxybenzoyl)amino]-N,N-diethyl-1-benzofuran-2-carboxamide
CID 22511094
ethyl 3-[(4-butoxybenzoyl)amino]-1-benzofuran-2-carboxylate
CID 16814955
3-(cyclopropanecarbonylamino)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 46281645
ethyl 3-[[4-[4-[(2-ethoxycarbonyl-1-benzofuran-3-yl)carbamoyl]phenoxy]benzoyl]amino]-1-benzofuran-2-carboxylate
CID 5165811
3-[(2-fluorobenzoyl)amino]-N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 92745650
2-bromo-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18847905
3,5-dichloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-4-methoxybenzamide
CID 18848197

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-[(4-ethoxybenzoyl)amino]-N-(furan-2-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-[(4-ethoxybenzoyl)amino]-N-(furan-2-ylmethyl)-1-benzofuran-2-carboxamide (CID 20925946) is N-[2-(dimethylamino)ethyl]-3-[(4-ethoxybenzoyl)amino]-N-(furan-2-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-[(4-ethoxybenzoyl)amino]-N-(furan-2-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-[(4-ethoxybenzoyl)amino]-N-(furan-2-ylmethyl)-1-benzofuran-2-carboxamide is CCOc1ccc(C(=O)Nc2c(C(=O)N(CCN(C)C)Cc3ccco3)oc3ccccc23)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-[(4-ethoxybenzoyl)amino]-N-(furan-2-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is CUTZTELCFYEOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O5/c1-4-33-20-13-11-19(12-14-20)26(31)28-24-22-9-5-6-10-23(22)35-25(24)27(32)30(16-15-29(2)3)18-21-8-7-17-34-21/h5-14,17H,4,15-16,18H2,1-3H3,(H,28,31).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-[(4-ethoxybenzoyl)amino]-N-(furan-2-ylmethyl)-1-benzofuran-2-carboxamide?
N-[2-(dimethylamino)ethyl]-3-[(4-ethoxybenzoyl)amino]-N-(furan-2-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 475.55 g/mol, XLogP of 4.88, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-[(4-ethoxybenzoyl)amino]-N-(furan-2-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 20925946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).