N-benzyl-N-[(5-methylfuran-2-yl)methyl]furan-2-carboxamide

C18H17NO3 — CID 42773295

IUPACN-benzyl-N-[(5-methylfuran-2-yl)methyl]furan-2-carboxamide
SMILESCc1ccc(CN(Cc2ccccc2)C(=O)c2ccco2)o1
InChIInChI=1S/C18H17NO3/c1-14-9-10-16(22-14)13-19(12-15-6-3-2-4-7-15)18(20)17-8-5-11-21-17/h2-11H,12-13H2,1H3
InChIKeyCWRZHQUBYYCXLI-UHFFFAOYSA-N
MW295.34 g/mol
LogP4.02
Rot. Bonds5

About N-benzyl-N-[(5-methylfuran-2-yl)methyl]furan-2-carboxamide

N-benzyl-N-[(5-methylfuran-2-yl)methyl]furan-2-carboxamide (PubChem CID 42773295) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-benzyl-N-[(5-methylfuran-2-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[(5-methylfuran-2-yl)methyl]furan-2-carboxamide
PubChem CID42773295
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC NameN-benzyl-N-[(5-methylfuran-2-yl)methyl]furan-2-carboxamide
SMILESCc1ccc(CN(Cc2ccccc2)C(=O)c2ccco2)o1
InChIInChI=1S/C18H17NO3/c1-14-9-10-16(22-14)13-19(12-15-6-3-2-4-7-15)18(20)17-8-5-11-21-17/h2-11H,12-13H2,1H3
InChIKeyCWRZHQUBYYCXLI-UHFFFAOYSA-N
XLogP4.02
TPSA46.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(2-Furylmethyl)benzamide
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1-(1-Benzofuran-2-ylcarbonyl)-4-methylpiperidine
CID 977492
acs.jmedchem.1c00409_ST.164
CID 9903743
1-[4-(Furan-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one
CID 694979
[5-(4-Isopropyl-phenoxymethyl)-furan-2-yl]-pyrrolidin-1-yl-methanone
CID 717029
N-(2-Furylmethyl)-3-phenylacrylamide
CID 732131
[5-(3,4-Dimethyl-phenoxymethyl)-furan-2-yl]-pyrrolidin-1-yl-methanone
CID 1084328
N-[2-(4-butoxyphenoxy)ethyl]furan-2-carboxamide
CID 2305621

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(5-methylfuran-2-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-benzyl-N-[(5-methylfuran-2-yl)methyl]furan-2-carboxamide (CID 42773295) is N-benzyl-N-[(5-methylfuran-2-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-benzyl-N-[(5-methylfuran-2-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-benzyl-N-[(5-methylfuran-2-yl)methyl]furan-2-carboxamide is Cc1ccc(CN(Cc2ccccc2)C(=O)c2ccco2)o1.
What is the InChIKey of N-benzyl-N-[(5-methylfuran-2-yl)methyl]furan-2-carboxamide?
The InChIKey is CWRZHQUBYYCXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-14-9-10-16(22-14)13-19(12-15-6-3-2-4-7-15)18(20)17-8-5-11-21-17/h2-11H,12-13H2,1H3.
What are the key properties of N-benzyl-N-[(5-methylfuran-2-yl)methyl]furan-2-carboxamide?
N-benzyl-N-[(5-methylfuran-2-yl)methyl]furan-2-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(5-methylfuran-2-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 42773295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).