N-[(2,3-dimethoxyphenyl)methyl]-4-(5-methylindazol-1-yl)-4-oxobutanamide

C21H23N3O4 — CID 22510220

IUPACN-[(2,3-dimethoxyphenyl)methyl]-4-(5-methylindazol-1-yl)-4-oxobutanamide
SMILESCOc1cccc(CNC(=O)CCC(=O)n2ncc3cc(C)ccc32)c1OC
InChIInChI=1S/C21H23N3O4/c1-14-7-8-17-16(11-14)13-23-24(17)20(26)10-9-19(25)22-12-15-5-4-6-18(27-2)21(15)28-3/h4-8,11,13H,9-10,12H2,1-3H3,(H,22,25)
InChIKeyDGZHDWUECPQHOF-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.10
Rot. Bonds7

About N-[(2,3-dimethoxyphenyl)methyl]-4-(5-methylindazol-1-yl)-4-oxobutanamide

N-[(2,3-dimethoxyphenyl)methyl]-4-(5-methylindazol-1-yl)-4-oxobutanamide (PubChem CID 22510220) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-4-(5-methylindazol-1-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-4-(5-methylindazol-1-yl)-4-oxobutanamide
PubChem CID22510220
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-4-(5-methylindazol-1-yl)-4-oxobutanamide
SMILESCOc1cccc(CNC(=O)CCC(=O)n2ncc3cc(C)ccc32)c1OC
InChIInChI=1S/C21H23N3O4/c1-14-7-8-17-16(11-14)13-23-24(17)20(26)10-9-19(25)22-12-15-5-4-6-18(27-2)21(15)28-3/h4-8,11,13H,9-10,12H2,1-3H3,(H,22,25)
InChIKeyDGZHDWUECPQHOF-UHFFFAOYSA-N
XLogP3.10
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-4-(5-methylindazol-1-yl)-4-oxobutanamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-4-(5-methylindazol-1-yl)-4-oxobutanamide (CID 22510220) is N-[(2,3-dimethoxyphenyl)methyl]-4-(5-methylindazol-1-yl)-4-oxobutanamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-4-(5-methylindazol-1-yl)-4-oxobutanamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-4-(5-methylindazol-1-yl)-4-oxobutanamide is COc1cccc(CNC(=O)CCC(=O)n2ncc3cc(C)ccc32)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-4-(5-methylindazol-1-yl)-4-oxobutanamide?
The InChIKey is DGZHDWUECPQHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-14-7-8-17-16(11-14)13-23-24(17)20(26)10-9-19(25)22-12-15-5-4-6-18(27-2)21(15)28-3/h4-8,11,13H,9-10,12H2,1-3H3,(H,22,25).
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-4-(5-methylindazol-1-yl)-4-oxobutanamide?
N-[(2,3-dimethoxyphenyl)methyl]-4-(5-methylindazol-1-yl)-4-oxobutanamide has a molecular weight of 381.43 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-4-(5-methylindazol-1-yl)-4-oxobutanamide is sourced from PubChem (CID 22510220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).