N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-hexylindazole-3-carboxamide

C20H30N4O2 — CID 162705326

IUPACN-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-hexylindazole-3-carboxamide
SMILESCCCCCCn1nc(C(=O)NC(C(N)=O)C(C)(C)C)c2ccccc21
InChIInChI=1S/C20H30N4O2/c1-5-6-7-10-13-24-15-12-9-8-11-14(15)16(23-24)19(26)22-17(18(21)25)20(2,3)4/h8-9,11-12,17H,5-7,10,13H2,1-4H3,(H2,21,25)(H,22,26)
InChIKeyPZMLDAGKYPJWHJ-UHFFFAOYSA-N
MW358.49 g/mol
LogP3.25
Rot. Bonds8

About N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-hexylindazole-3-carboxamide

N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-hexylindazole-3-carboxamide (PubChem CID 162705326) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-hexylindazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-hexylindazole-3-carboxamide
PubChem CID162705326
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC NameN-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-hexylindazole-3-carboxamide
SMILESCCCCCCn1nc(C(=O)NC(C(N)=O)C(C)(C)C)c2ccccc21
InChIInChI=1S/C20H30N4O2/c1-5-6-7-10-13-24-15-12-9-8-11-14(15)16(23-24)19(26)22-17(18(21)25)20(2,3)4/h8-9,11-12,17H,5-7,10,13H2,1-4H3,(H2,21,25)(H,22,26)
InChIKeyPZMLDAGKYPJWHJ-UHFFFAOYSA-N
XLogP3.25
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-hexylindazole-3-carboxamide?
The IUPAC name of N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-hexylindazole-3-carboxamide (CID 162705326) is N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-hexylindazole-3-carboxamide.
What is the SMILES notation for N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-hexylindazole-3-carboxamide?
The canonical SMILES for N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-hexylindazole-3-carboxamide is CCCCCCn1nc(C(=O)NC(C(N)=O)C(C)(C)C)c2ccccc21.
What is the InChIKey of N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-hexylindazole-3-carboxamide?
The InChIKey is PZMLDAGKYPJWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-5-6-7-10-13-24-15-12-9-8-11-14(15)16(23-24)19(26)22-17(18(21)25)20(2,3)4/h8-9,11-12,17H,5-7,10,13H2,1-4H3,(H2,21,25)(H,22,26).
What are the key properties of N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-hexylindazole-3-carboxamide?
N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-hexylindazole-3-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 3.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-hexylindazole-3-carboxamide is sourced from PubChem (CID 162705326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).