N-hexan-3-yl-N-methyl-4-(1-methylindazol-5-yl)benzamide

C22H27N3O — CID 144760261

IUPACN-hexan-3-yl-N-methyl-4-(1-methylindazol-5-yl)benzamide
SMILESCCCC(CC)N(C)C(=O)c1ccc(-c2ccc3c(cnn3C)c2)cc1
InChIInChI=1S/C22H27N3O/c1-5-7-20(6-2)24(3)22(26)17-10-8-16(9-11-17)18-12-13-21-19(14-18)15-23-25(21)4/h8-15,20H,5-7H2,1-4H3
InChIKeyMBLIPCGIWVZROU-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.89
Rot. Bonds6

About N-hexan-3-yl-N-methyl-4-(1-methylindazol-5-yl)benzamide

N-hexan-3-yl-N-methyl-4-(1-methylindazol-5-yl)benzamide (PubChem CID 144760261) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is N-hexan-3-yl-N-methyl-4-(1-methylindazol-5-yl)benzamide.

Molecular Properties

Compound NameN-hexan-3-yl-N-methyl-4-(1-methylindazol-5-yl)benzamide
PubChem CID144760261
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC NameN-hexan-3-yl-N-methyl-4-(1-methylindazol-5-yl)benzamide
SMILESCCCC(CC)N(C)C(=O)c1ccc(-c2ccc3c(cnn3C)c2)cc1
InChIInChI=1S/C22H27N3O/c1-5-7-20(6-2)24(3)22(26)17-10-8-16(9-11-17)18-12-13-21-19(14-18)15-23-25(21)4/h8-15,20H,5-7H2,1-4H3
InChIKeyMBLIPCGIWVZROU-UHFFFAOYSA-N
XLogP4.89
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-hexan-3-yl-N-methyl-4-(1-methylindazol-5-yl)benzamide?
The IUPAC name of N-hexan-3-yl-N-methyl-4-(1-methylindazol-5-yl)benzamide (CID 144760261) is N-hexan-3-yl-N-methyl-4-(1-methylindazol-5-yl)benzamide.
What is the SMILES notation for N-hexan-3-yl-N-methyl-4-(1-methylindazol-5-yl)benzamide?
The canonical SMILES for N-hexan-3-yl-N-methyl-4-(1-methylindazol-5-yl)benzamide is CCCC(CC)N(C)C(=O)c1ccc(-c2ccc3c(cnn3C)c2)cc1.
What is the InChIKey of N-hexan-3-yl-N-methyl-4-(1-methylindazol-5-yl)benzamide?
The InChIKey is MBLIPCGIWVZROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-5-7-20(6-2)24(3)22(26)17-10-8-16(9-11-17)18-12-13-21-19(14-18)15-23-25(21)4/h8-15,20H,5-7H2,1-4H3.
What are the key properties of N-hexan-3-yl-N-methyl-4-(1-methylindazol-5-yl)benzamide?
N-hexan-3-yl-N-methyl-4-(1-methylindazol-5-yl)benzamide has a molecular weight of 349.48 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-3-yl-N-methyl-4-(1-methylindazol-5-yl)benzamide is sourced from PubChem (CID 144760261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).