N-[(1R)-2-amino-1-cyclohexylethyl]-2-indazol-2-ylacetamide

C17H24N4O — CID 170897061

IUPACN-[(1R)-2-amino-1-cyclohexylethyl]-2-indazol-2-ylacetamide
SMILESNC[C@H](NC(=O)Cn1cc2ccccc2n1)C1CCCCC1
InChIInChI=1S/C17H24N4O/c18-10-16(13-6-2-1-3-7-13)19-17(22)12-21-11-14-8-4-5-9-15(14)20-21/h4-5,8-9,11,13,16H,1-3,6-7,10,12,18H2,(H,19,22)/t16-/m0/s1
InChIKeyWSRPQRWOILZBCW-INIZCTEOSA-N
MW300.41 g/mol
LogP2.06
Rot. Bonds5

About N-[(1R)-2-amino-1-cyclohexylethyl]-2-indazol-2-ylacetamide

N-[(1R)-2-amino-1-cyclohexylethyl]-2-indazol-2-ylacetamide (PubChem CID 170897061) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N-[(1R)-2-amino-1-cyclohexylethyl]-2-indazol-2-ylacetamide.

Molecular Properties

Compound NameN-[(1R)-2-amino-1-cyclohexylethyl]-2-indazol-2-ylacetamide
PubChem CID170897061
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN-[(1R)-2-amino-1-cyclohexylethyl]-2-indazol-2-ylacetamide
SMILESNC[C@H](NC(=O)Cn1cc2ccccc2n1)C1CCCCC1
InChIInChI=1S/C17H24N4O/c18-10-16(13-6-2-1-3-7-13)19-17(22)12-21-11-14-8-4-5-9-15(14)20-21/h4-5,8-9,11,13,16H,1-3,6-7,10,12,18H2,(H,19,22)/t16-/m0/s1
InChIKeyWSRPQRWOILZBCW-INIZCTEOSA-N
XLogP2.06
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-amino-1-cyclohexylethyl]-2-indazol-2-ylacetamide?
The IUPAC name of N-[(1R)-2-amino-1-cyclohexylethyl]-2-indazol-2-ylacetamide (CID 170897061) is N-[(1R)-2-amino-1-cyclohexylethyl]-2-indazol-2-ylacetamide.
What is the SMILES notation for N-[(1R)-2-amino-1-cyclohexylethyl]-2-indazol-2-ylacetamide?
The canonical SMILES for N-[(1R)-2-amino-1-cyclohexylethyl]-2-indazol-2-ylacetamide is NC[C@H](NC(=O)Cn1cc2ccccc2n1)C1CCCCC1.
What is the InChIKey of N-[(1R)-2-amino-1-cyclohexylethyl]-2-indazol-2-ylacetamide?
The InChIKey is WSRPQRWOILZBCW-INIZCTEOSA-N. The full InChI is InChI=1S/C17H24N4O/c18-10-16(13-6-2-1-3-7-13)19-17(22)12-21-11-14-8-4-5-9-15(14)20-21/h4-5,8-9,11,13,16H,1-3,6-7,10,12,18H2,(H,19,22)/t16-/m0/s1.
What are the key properties of N-[(1R)-2-amino-1-cyclohexylethyl]-2-indazol-2-ylacetamide?
N-[(1R)-2-amino-1-cyclohexylethyl]-2-indazol-2-ylacetamide has a molecular weight of 300.41 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-amino-1-cyclohexylethyl]-2-indazol-2-ylacetamide is sourced from PubChem (CID 170897061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).