N-(3-ethoxy-1-methylindazol-5-yl)-4-methylpentanamide

C16H23N3O2 — CID 100830616

IUPACN-(3-ethoxy-1-methylindazol-5-yl)-4-methylpentanamide
SMILESCCOc1nn(C)c2ccc(NC(=O)CCC(C)C)cc12
InChIInChI=1S/C16H23N3O2/c1-5-21-16-13-10-12(7-8-14(13)19(4)18-16)17-15(20)9-6-11(2)3/h7-8,10-11H,5-6,9H2,1-4H3,(H,17,20)
InChIKeyJCCCYADCHGRJPQ-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.35
Rot. Bonds6

About N-(3-ethoxy-1-methylindazol-5-yl)-4-methylpentanamide

N-(3-ethoxy-1-methylindazol-5-yl)-4-methylpentanamide (PubChem CID 100830616) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(3-ethoxy-1-methylindazol-5-yl)-4-methylpentanamide.

Molecular Properties

Compound NameN-(3-ethoxy-1-methylindazol-5-yl)-4-methylpentanamide
PubChem CID100830616
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-(3-ethoxy-1-methylindazol-5-yl)-4-methylpentanamide
SMILESCCOc1nn(C)c2ccc(NC(=O)CCC(C)C)cc12
InChIInChI=1S/C16H23N3O2/c1-5-21-16-13-10-12(7-8-14(13)19(4)18-16)17-15(20)9-6-11(2)3/h7-8,10-11H,5-6,9H2,1-4H3,(H,17,20)
InChIKeyJCCCYADCHGRJPQ-UHFFFAOYSA-N
XLogP3.35
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethoxy-1-methylindazol-5-yl)-2,5-dimethylfuran-3-carboxamide
CID 100830839
N-(1-methyl-3-propan-2-yloxyindazol-5-yl)benzamide
CID 100830643
4-amino-N-(9-ethylcarbazol-3-yl)pentanamide
CID 120558708
ethyl 4-(4-methylpentanoylamino)benzoate
CID 43404103
N-(3-amino-4-methylphenyl)-4-methylpentanamide
CID 28776905
N-(1-ethylbenzimidazol-5-yl)butanamide
CID 2973046
N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]-4-methylpentanamide
CID 28665965
N-(4-bromophenyl)-4-methylpentanamide
CID 28780538
N-(4-bromo-3-fluorophenyl)-4-methylpentanamide
CID 65437614
4-(5-bromo-1-methylindazol-3-yl)oxy-N-(2-methoxyethyl)butanamide
CID 100820914
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-imidazol-1-ylpropanamide
CID 61013976
4-amino-N-[4-methyl-3-(3-methylbutoxy)phenyl]pentanamide
CID 120563196

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-1-methylindazol-5-yl)-4-methylpentanamide?
The IUPAC name of N-(3-ethoxy-1-methylindazol-5-yl)-4-methylpentanamide (CID 100830616) is N-(3-ethoxy-1-methylindazol-5-yl)-4-methylpentanamide.
What is the SMILES notation for N-(3-ethoxy-1-methylindazol-5-yl)-4-methylpentanamide?
The canonical SMILES for N-(3-ethoxy-1-methylindazol-5-yl)-4-methylpentanamide is CCOc1nn(C)c2ccc(NC(=O)CCC(C)C)cc12.
What is the InChIKey of N-(3-ethoxy-1-methylindazol-5-yl)-4-methylpentanamide?
The InChIKey is JCCCYADCHGRJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-5-21-16-13-10-12(7-8-14(13)19(4)18-16)17-15(20)9-6-11(2)3/h7-8,10-11H,5-6,9H2,1-4H3,(H,17,20).
What are the key properties of N-(3-ethoxy-1-methylindazol-5-yl)-4-methylpentanamide?
N-(3-ethoxy-1-methylindazol-5-yl)-4-methylpentanamide has a molecular weight of 289.38 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-1-methylindazol-5-yl)-4-methylpentanamide is sourced from PubChem (CID 100830616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).