N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C23H31N3O2 — CID 51111502

IUPACN-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCCCCc1oc2ccccc2c1CN(C)C(=O)CCc1c(C)nn(C)c1C
InChIInChI=1S/C23H31N3O2/c1-6-7-11-22-20(19-10-8-9-12-21(19)28-22)15-25(4)23(27)14-13-18-16(2)24-26(5)17(18)3/h8-10,12H,6-7,11,13-15H2,1-5H3
InChIKeyZSIYEHLKQHHEJY-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.72
Rot. Bonds8

About N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 51111502) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID51111502
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC NameN-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCCCCc1oc2ccccc2c1CN(C)C(=O)CCc1c(C)nn(C)c1C
InChIInChI=1S/C23H31N3O2/c1-6-7-11-22-20(19-10-8-9-12-21(19)28-22)15-25(4)23(27)14-13-18-16(2)24-26(5)17(18)3/h8-10,12H,6-7,11,13-15H2,1-5H3
InChIKeyZSIYEHLKQHHEJY-UHFFFAOYSA-N
XLogP4.72
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 51111502) is N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is CCCCc1oc2ccccc2c1CN(C)C(=O)CCc1c(C)nn(C)c1C.
What is the InChIKey of N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is ZSIYEHLKQHHEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-6-7-11-22-20(19-10-8-9-12-21(19)28-22)15-25(4)23(27)14-13-18-16(2)24-26(5)17(18)3/h8-10,12H,6-7,11,13-15H2,1-5H3.
What are the key properties of N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 381.52 g/mol, XLogP of 4.72, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 51111502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).