N-[(1R)-1-cyclohexylethyl]-3-ethoxy-2-ethylindazole-6-carboxamide

C20H29N3O2 — CID 11958404

IUPACN-[(1R)-1-cyclohexylethyl]-3-ethoxy-2-ethylindazole-6-carboxamide
SMILESCCOc1c2ccc(C(=O)N[C@H](C)C3CCCCC3)cc2nn1CC
InChIInChI=1S/C20H29N3O2/c1-4-23-20(25-5-2)17-12-11-16(13-18(17)22-23)19(24)21-14(3)15-9-7-6-8-10-15/h11-15H,4-10H2,1-3H3,(H,21,24)/t14-/m1/s1
InChIKeySSYWEBYCGMNJIZ-CQSZACIVSA-N
MW343.47 g/mol
LogP4.15
Rot. Bonds6

About N-[(1R)-1-cyclohexylethyl]-3-ethoxy-2-ethylindazole-6-carboxamide

N-[(1R)-1-cyclohexylethyl]-3-ethoxy-2-ethylindazole-6-carboxamide (PubChem CID 11958404) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexylethyl]-3-ethoxy-2-ethylindazole-6-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclohexylethyl]-3-ethoxy-2-ethylindazole-6-carboxamide
PubChem CID11958404
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-[(1R)-1-cyclohexylethyl]-3-ethoxy-2-ethylindazole-6-carboxamide
SMILESCCOc1c2ccc(C(=O)N[C@H](C)C3CCCCC3)cc2nn1CC
InChIInChI=1S/C20H29N3O2/c1-4-23-20(25-5-2)17-12-11-16(13-18(17)22-23)19(24)21-14(3)15-9-7-6-8-10-15/h11-15H,4-10H2,1-3H3,(H,21,24)/t14-/m1/s1
InChIKeySSYWEBYCGMNJIZ-CQSZACIVSA-N
XLogP4.15
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclohexylethyl]-3-ethoxy-2-ethylindazole-6-carboxamide?
The IUPAC name of N-[(1R)-1-cyclohexylethyl]-3-ethoxy-2-ethylindazole-6-carboxamide (CID 11958404) is N-[(1R)-1-cyclohexylethyl]-3-ethoxy-2-ethylindazole-6-carboxamide.
What is the SMILES notation for N-[(1R)-1-cyclohexylethyl]-3-ethoxy-2-ethylindazole-6-carboxamide?
The canonical SMILES for N-[(1R)-1-cyclohexylethyl]-3-ethoxy-2-ethylindazole-6-carboxamide is CCOc1c2ccc(C(=O)N[C@H](C)C3CCCCC3)cc2nn1CC.
What is the InChIKey of N-[(1R)-1-cyclohexylethyl]-3-ethoxy-2-ethylindazole-6-carboxamide?
The InChIKey is SSYWEBYCGMNJIZ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-4-23-20(25-5-2)17-12-11-16(13-18(17)22-23)19(24)21-14(3)15-9-7-6-8-10-15/h11-15H,4-10H2,1-3H3,(H,21,24)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-cyclohexylethyl]-3-ethoxy-2-ethylindazole-6-carboxamide?
N-[(1R)-1-cyclohexylethyl]-3-ethoxy-2-ethylindazole-6-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclohexylethyl]-3-ethoxy-2-ethylindazole-6-carboxamide is sourced from PubChem (CID 11958404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).