N-(2-cyanoethyl)-2,4,5-trimethyl-N-phenylfuran-3-carboxamide

C17H18N2O2 — CID 65153086

IUPACN-(2-cyanoethyl)-2,4,5-trimethyl-N-phenylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)N(CCC#N)c2ccccc2)c1C
InChIInChI=1S/C17H18N2O2/c1-12-13(2)21-14(3)16(12)17(20)19(11-7-10-18)15-8-5-4-6-9-15/h4-6,8-9H,7,11H2,1-3H3
InChIKeyHCLKZJBUCBHLFQ-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.77
Rot. Bonds4

About N-(2-cyanoethyl)-2,4,5-trimethyl-N-phenylfuran-3-carboxamide

N-(2-cyanoethyl)-2,4,5-trimethyl-N-phenylfuran-3-carboxamide (PubChem CID 65153086) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2,4,5-trimethyl-N-phenylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2,4,5-trimethyl-N-phenylfuran-3-carboxamide
PubChem CID65153086
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-(2-cyanoethyl)-2,4,5-trimethyl-N-phenylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)N(CCC#N)c2ccccc2)c1C
InChIInChI=1S/C17H18N2O2/c1-12-13(2)21-14(3)16(12)17(20)19(11-7-10-18)15-8-5-4-6-9-15/h4-6,8-9H,7,11H2,1-3H3
InChIKeyHCLKZJBUCBHLFQ-UHFFFAOYSA-N
XLogP3.77
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-N-ethyl-2,4,5-trimethylfuran-3-carboxamide
CID 65153233
N-(2-cyanoethyl)-3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide
CID 43582277
N-(2-cyanoethyl)-N-(4-methylphenyl)benzamide
CID 2429232
N-(2-cyanoethyl)-2-hydroxy-3-methyl-N-phenylbenzamide
CID 24708338
N-(2-cyanoethyl)-2,6-dimethyl-N-phenylpyridine-3-carboxamide
CID 62830086
2-chloro-N-(2-cyanoethyl)-N-phenylacetamide
CID 2404872
2-bromo-N-(2-cyanoethyl)-N-phenylpropanamide
CID 107902898
N-(2-cyanoethyl)-2,2-dimethyl-N-phenylbutanamide
CID 62679945
N-(2-cyanoethyl)-N-phenylnaphthalene-1-carboxamide
CID 43823022
N-(2-cyanoethyl)-2-ethoxy-N-phenylbenzamide
CID 24694454
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 8966058
N,N-bis(2-cyanoethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2210713

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2,4,5-trimethyl-N-phenylfuran-3-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-2,4,5-trimethyl-N-phenylfuran-3-carboxamide (CID 65153086) is N-(2-cyanoethyl)-2,4,5-trimethyl-N-phenylfuran-3-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-2,4,5-trimethyl-N-phenylfuran-3-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-2,4,5-trimethyl-N-phenylfuran-3-carboxamide is Cc1oc(C)c(C(=O)N(CCC#N)c2ccccc2)c1C.
What is the InChIKey of N-(2-cyanoethyl)-2,4,5-trimethyl-N-phenylfuran-3-carboxamide?
The InChIKey is HCLKZJBUCBHLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-12-13(2)21-14(3)16(12)17(20)19(11-7-10-18)15-8-5-4-6-9-15/h4-6,8-9H,7,11H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-2,4,5-trimethyl-N-phenylfuran-3-carboxamide?
N-(2-cyanoethyl)-2,4,5-trimethyl-N-phenylfuran-3-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2,4,5-trimethyl-N-phenylfuran-3-carboxamide is sourced from PubChem (CID 65153086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).