5-[(4-tert-butylphenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]furan-2-carboxamide

C24H31N3O3 — CID 19452492

IUPAC5-[(4-tert-butylphenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]furan-2-carboxamide
SMILESCCn1ncc(C(C)NC(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)o2)c1C
InChIInChI=1S/C24H31N3O3/c1-7-27-17(3)21(14-25-27)16(2)26-23(28)22-13-12-20(30-22)15-29-19-10-8-18(9-11-19)24(4,5)6/h8-14,16H,7,15H2,1-6H3,(H,26,28)
InChIKeyKNFNYLRSFOGTPB-UHFFFAOYSA-N
MW409.53 g/mol
LogP5.17
Rot. Bonds7

About 5-[(4-tert-butylphenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]furan-2-carboxamide

5-[(4-tert-butylphenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]furan-2-carboxamide (PubChem CID 19452492) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 5-[(4-tert-butylphenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-tert-butylphenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]furan-2-carboxamide
PubChem CID19452492
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name5-[(4-tert-butylphenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]furan-2-carboxamide
SMILESCCn1ncc(C(C)NC(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)o2)c1C
InChIInChI=1S/C24H31N3O3/c1-7-27-17(3)21(14-25-27)16(2)26-23(28)22-13-12-20(30-22)15-29-19-10-8-18(9-11-19)24(4,5)6/h8-14,16H,7,15H2,1-6H3,(H,26,28)
InChIKeyKNFNYLRSFOGTPB-UHFFFAOYSA-N
XLogP5.17
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19448194
5-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]furan-2-carboxamide
CID 19417098
N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-4-[(4-fluorophenoxy)methyl]benzamide
CID 19467175
N-[1-(2-ethylpyrazol-3-yl)ethyl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide
CID 19454649
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19466908
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 19466841
5-[(4-butan-2-ylphenoxy)methyl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 19450499
N-[3-[[5-[(4-tert-butylphenoxy)methyl]furan-2-carbonyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide
CID 19452540
5-[(4-tert-butylphenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
CID 19452599
5-[(4-tert-butylphenoxy)methyl]-N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19450737
N-[1-(1-ethylpyrazol-3-yl)ethyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19462624
N-(3-methylbutan-2-yl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
CID 43048903

Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butylphenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-[(4-tert-butylphenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]furan-2-carboxamide (CID 19452492) is 5-[(4-tert-butylphenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-tert-butylphenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-[(4-tert-butylphenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]furan-2-carboxamide is CCn1ncc(C(C)NC(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)o2)c1C.
What is the InChIKey of 5-[(4-tert-butylphenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]furan-2-carboxamide?
The InChIKey is KNFNYLRSFOGTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-7-27-17(3)21(14-25-27)16(2)26-23(28)22-13-12-20(30-22)15-29-19-10-8-18(9-11-19)24(4,5)6/h8-14,16H,7,15H2,1-6H3,(H,26,28).
What are the key properties of 5-[(4-tert-butylphenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]furan-2-carboxamide?
5-[(4-tert-butylphenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]furan-2-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-tert-butylphenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 19452492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).