2-butyl-N-[(1R)-1-cyclohexylethyl]-3-ethoxyindazole-6-carboxamide

C22H33N3O2 — CID 11958412

IUPAC2-butyl-N-[(1R)-1-cyclohexylethyl]-3-ethoxyindazole-6-carboxamide
SMILESCCCCn1nc2cc(C(=O)N[C@H](C)C3CCCCC3)ccc2c1OCC
InChIInChI=1S/C22H33N3O2/c1-4-6-14-25-22(27-5-2)19-13-12-18(15-20(19)24-25)21(26)23-16(3)17-10-8-7-9-11-17/h12-13,15-17H,4-11,14H2,1-3H3,(H,23,26)/t16-/m1/s1
InChIKeyQYCKEESGTNXTQI-MRXNPFEDSA-N
MW371.53 g/mol
LogP4.93
Rot. Bonds8

About 2-butyl-N-[(1R)-1-cyclohexylethyl]-3-ethoxyindazole-6-carboxamide

2-butyl-N-[(1R)-1-cyclohexylethyl]-3-ethoxyindazole-6-carboxamide (PubChem CID 11958412) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 2-butyl-N-[(1R)-1-cyclohexylethyl]-3-ethoxyindazole-6-carboxamide.

Molecular Properties

Compound Name2-butyl-N-[(1R)-1-cyclohexylethyl]-3-ethoxyindazole-6-carboxamide
PubChem CID11958412
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name2-butyl-N-[(1R)-1-cyclohexylethyl]-3-ethoxyindazole-6-carboxamide
SMILESCCCCn1nc2cc(C(=O)N[C@H](C)C3CCCCC3)ccc2c1OCC
InChIInChI=1S/C22H33N3O2/c1-4-6-14-25-22(27-5-2)19-13-12-18(15-20(19)24-25)21(26)23-16(3)17-10-8-7-9-11-17/h12-13,15-17H,4-11,14H2,1-3H3,(H,23,26)/t16-/m1/s1
InChIKeyQYCKEESGTNXTQI-MRXNPFEDSA-N
XLogP4.93
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-[(1R)-1-cyclohexylethyl]-3-ethoxyindazole-6-carboxamide?
The IUPAC name of 2-butyl-N-[(1R)-1-cyclohexylethyl]-3-ethoxyindazole-6-carboxamide (CID 11958412) is 2-butyl-N-[(1R)-1-cyclohexylethyl]-3-ethoxyindazole-6-carboxamide.
What is the SMILES notation for 2-butyl-N-[(1R)-1-cyclohexylethyl]-3-ethoxyindazole-6-carboxamide?
The canonical SMILES for 2-butyl-N-[(1R)-1-cyclohexylethyl]-3-ethoxyindazole-6-carboxamide is CCCCn1nc2cc(C(=O)N[C@H](C)C3CCCCC3)ccc2c1OCC.
What is the InChIKey of 2-butyl-N-[(1R)-1-cyclohexylethyl]-3-ethoxyindazole-6-carboxamide?
The InChIKey is QYCKEESGTNXTQI-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-4-6-14-25-22(27-5-2)19-13-12-18(15-20(19)24-25)21(26)23-16(3)17-10-8-7-9-11-17/h12-13,15-17H,4-11,14H2,1-3H3,(H,23,26)/t16-/m1/s1.
What are the key properties of 2-butyl-N-[(1R)-1-cyclohexylethyl]-3-ethoxyindazole-6-carboxamide?
2-butyl-N-[(1R)-1-cyclohexylethyl]-3-ethoxyindazole-6-carboxamide has a molecular weight of 371.53 g/mol, XLogP of 4.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-[(1R)-1-cyclohexylethyl]-3-ethoxyindazole-6-carboxamide is sourced from PubChem (CID 11958412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).