5-ethoxy-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide

C18H27N3O4 — CID 46999797

IUPAC5-ethoxy-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide
SMILESCCOc1ccc(C(=O)N(CCOC)Cc2c(C)nn(CC)c2C)o1
InChIInChI=1S/C18H27N3O4/c1-6-21-14(4)15(13(3)19-21)12-20(10-11-23-5)18(22)16-8-9-17(25-16)24-7-2/h8-9H,6-7,10-12H2,1-5H3
InChIKeyBMTCLQJOPOTUNY-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.80
Rot. Bonds9

About 5-ethoxy-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide

5-ethoxy-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide (PubChem CID 46999797) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is 5-ethoxy-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-ethoxy-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide
PubChem CID46999797
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name5-ethoxy-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide
SMILESCCOc1ccc(C(=O)N(CCOC)Cc2c(C)nn(CC)c2C)o1
InChIInChI=1S/C18H27N3O4/c1-6-21-14(4)15(13(3)19-21)12-20(10-11-23-5)18(22)16-8-9-17(25-16)24-7-2/h8-9H,6-7,10-12H2,1-5H3
InChIKeyBMTCLQJOPOTUNY-UHFFFAOYSA-N
XLogP2.80
TPSA69.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide?
The IUPAC name of 5-ethoxy-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide (CID 46999797) is 5-ethoxy-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide.
What is the SMILES notation for 5-ethoxy-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide?
The canonical SMILES for 5-ethoxy-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide is CCOc1ccc(C(=O)N(CCOC)Cc2c(C)nn(CC)c2C)o1.
What is the InChIKey of 5-ethoxy-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide?
The InChIKey is BMTCLQJOPOTUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-6-21-14(4)15(13(3)19-21)12-20(10-11-23-5)18(22)16-8-9-17(25-16)24-7-2/h8-9H,6-7,10-12H2,1-5H3.
What are the key properties of 5-ethoxy-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide?
5-ethoxy-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 2.80, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide is sourced from PubChem (CID 46999797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).