N-benzyl-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide

C22H19NO3 — CID 17014016

IUPACN-benzyl-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(Cc2ccccc2)Cc2ccco2)oc2ccccc12
InChIInChI=1S/C22H19NO3/c1-16-19-11-5-6-12-20(19)26-21(16)22(24)23(15-18-10-7-13-25-18)14-17-8-3-2-4-9-17/h2-13H,14-15H2,1H3
InChIKeyMSIHPDYMDNEZCG-UHFFFAOYSA-N
MW345.40 g/mol
LogP5.18
Rot. Bonds5

About N-benzyl-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide

N-benzyl-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 17014016) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-benzyl-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide
PubChem CID17014016
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC NameN-benzyl-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(Cc2ccccc2)Cc2ccco2)oc2ccccc12
InChIInChI=1S/C22H19NO3/c1-16-19-11-5-6-12-20(19)26-21(16)22(24)23(15-18-10-7-13-25-18)14-17-8-3-2-4-9-17/h2-13H,14-15H2,1H3
InChIKeyMSIHPDYMDNEZCG-UHFFFAOYSA-N
XLogP5.18
TPSA46.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.40
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide
CID 19120210
N-benzyl-N-(furan-2-ylmethyl)-6-methyl-4-oxochromene-2-carboxamide
CID 23605564
N-benzyl-N-[(5-methylfuran-2-yl)methyl]furan-2-carboxamide
CID 42773295
N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide
CID 7390201
N-benzyl-4-tert-butyl-N-(furan-2-ylmethyl)benzamide
CID 4518197
5-ethyl-N-(furan-2-ylmethyl)-3-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 19244147
5-fluoro-N-(furan-2-ylmethyl)-3-methyl-N-[(5-piperidin-1-ylfuran-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 19243845
N-benzyl-N-(furan-2-ylmethyl)-4-pentylbenzamide
CID 4518534
5-chloro-N-(furan-2-ylmethyl)-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 18109842
N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-6-methyl-4-oxochromene-2-carboxamide
CID 35342487
N,N-dibenzylfuran-2-carboxamide
CID 762503
5-bromo-N-(furan-2-ylmethyl)-3-methyl-N-[(5-piperidin-1-ylfuran-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 19243842

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-benzyl-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide (CID 17014016) is N-benzyl-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-benzyl-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-benzyl-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)N(Cc2ccccc2)Cc2ccco2)oc2ccccc12.
What is the InChIKey of N-benzyl-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is MSIHPDYMDNEZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c1-16-19-11-5-6-12-20(19)26-21(16)22(24)23(15-18-10-7-13-25-18)14-17-8-3-2-4-9-17/h2-13H,14-15H2,1H3.
What are the key properties of N-benzyl-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide?
N-benzyl-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 17014016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).