N-benzyl-N,4,5-trimethylfuran-2-carboxamide

C15H17NO2 — CID 110697616

IUPACN-benzyl-N,4,5-trimethylfuran-2-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccccc2)oc1C
InChIInChI=1S/C15H17NO2/c1-11-9-14(18-12(11)2)15(17)16(3)10-13-7-5-4-6-8-13/h4-9H,10H2,1-3H3
InChIKeyOFANKSBVPJPZNT-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.17
Rot. Bonds3

About N-benzyl-N,4,5-trimethylfuran-2-carboxamide

N-benzyl-N,4,5-trimethylfuran-2-carboxamide (PubChem CID 110697616) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-benzyl-N,4,5-trimethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N,4,5-trimethylfuran-2-carboxamide
PubChem CID110697616
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC NameN-benzyl-N,4,5-trimethylfuran-2-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccccc2)oc1C
InChIInChI=1S/C15H17NO2/c1-11-9-14(18-12(11)2)15(17)16(3)10-13-7-5-4-6-8-13/h4-9H,10H2,1-3H3
InChIKeyOFANKSBVPJPZNT-UHFFFAOYSA-N
XLogP3.17
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 4056065
3,5-diamino-N-benzyl-N-methylbenzamide
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CID 51046454
N-benzyl-N,3-dimethyl-4-nitrobenzamide
CID 786991
N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 788859
N-benzyl-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide
CID 110691862
N-benzyl-N,2-dimethyl-1,3-benzoxazole-5-carboxamide
CID 110387920
5-(aminomethyl)-N-benzyl-N,4-dimethyl-1,3-oxazole-2-carboxamide
CID 68805700
2-[methyl-[(4-methylphenyl)methyl]carbamoyl]benzoic acid
CID 28798661
N-benzyl-N,1,2,5-tetramethylpyrrole-3-carboxamide
CID 110691243
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
N-benzyl-N,3-dimethyl-5-sulfamoylbenzamide
CID 110678045

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,4,5-trimethylfuran-2-carboxamide?
The IUPAC name of N-benzyl-N,4,5-trimethylfuran-2-carboxamide (CID 110697616) is N-benzyl-N,4,5-trimethylfuran-2-carboxamide.
What is the SMILES notation for N-benzyl-N,4,5-trimethylfuran-2-carboxamide?
The canonical SMILES for N-benzyl-N,4,5-trimethylfuran-2-carboxamide is Cc1cc(C(=O)N(C)Cc2ccccc2)oc1C.
What is the InChIKey of N-benzyl-N,4,5-trimethylfuran-2-carboxamide?
The InChIKey is OFANKSBVPJPZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-11-9-14(18-12(11)2)15(17)16(3)10-13-7-5-4-6-8-13/h4-9H,10H2,1-3H3.
What are the key properties of N-benzyl-N,4,5-trimethylfuran-2-carboxamide?
N-benzyl-N,4,5-trimethylfuran-2-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,4,5-trimethylfuran-2-carboxamide is sourced from PubChem (CID 110697616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).