N-[(1-phenylindazol-5-yl)methyl]-2-propylpentanamide

C22H27N3O — CID 45270943

IUPACN-[(1-phenylindazol-5-yl)methyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccccc2)c1
InChIInChI=1S/C22H27N3O/c1-3-8-18(9-4-2)22(26)23-15-17-12-13-21-19(14-17)16-24-25(21)20-10-6-5-7-11-20/h5-7,10-14,16,18H,3-4,8-9,15H2,1-2H3,(H,23,26)
InChIKeyDQTXURLZUXWASR-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.86
Rot. Bonds8

About N-[(1-phenylindazol-5-yl)methyl]-2-propylpentanamide

N-[(1-phenylindazol-5-yl)methyl]-2-propylpentanamide (PubChem CID 45270943) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[(1-phenylindazol-5-yl)methyl]-2-propylpentanamide.

Molecular Properties

Compound NameN-[(1-phenylindazol-5-yl)methyl]-2-propylpentanamide
PubChem CID45270943
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC NameN-[(1-phenylindazol-5-yl)methyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccccc2)c1
InChIInChI=1S/C22H27N3O/c1-3-8-18(9-4-2)22(26)23-15-17-12-13-21-19(14-17)16-24-25(21)20-10-6-5-7-11-20/h5-7,10-14,16,18H,3-4,8-9,15H2,1-2H3,(H,23,26)
InChIKeyDQTXURLZUXWASR-UHFFFAOYSA-N
XLogP4.86
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylindazol-5-yl)methyl]-2-propylpentanamide?
The IUPAC name of N-[(1-phenylindazol-5-yl)methyl]-2-propylpentanamide (CID 45270943) is N-[(1-phenylindazol-5-yl)methyl]-2-propylpentanamide.
What is the SMILES notation for N-[(1-phenylindazol-5-yl)methyl]-2-propylpentanamide?
The canonical SMILES for N-[(1-phenylindazol-5-yl)methyl]-2-propylpentanamide is CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccccc2)c1.
What is the InChIKey of N-[(1-phenylindazol-5-yl)methyl]-2-propylpentanamide?
The InChIKey is DQTXURLZUXWASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-3-8-18(9-4-2)22(26)23-15-17-12-13-21-19(14-17)16-24-25(21)20-10-6-5-7-11-20/h5-7,10-14,16,18H,3-4,8-9,15H2,1-2H3,(H,23,26).
What are the key properties of N-[(1-phenylindazol-5-yl)methyl]-2-propylpentanamide?
N-[(1-phenylindazol-5-yl)methyl]-2-propylpentanamide has a molecular weight of 349.48 g/mol, XLogP of 4.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylindazol-5-yl)methyl]-2-propylpentanamide is sourced from PubChem (CID 45270943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).