N-[(4-butoxy-3-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C20H27N3O3 — CID 112824285

IUPACN-[(4-butoxy-3-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCCCCOc1ccc(CNC(=O)c2n[nH]c3c2CCCC3)cc1OC
InChIInChI=1S/C20H27N3O3/c1-3-4-11-26-17-10-9-14(12-18(17)25-2)13-21-20(24)19-15-7-5-6-8-16(15)22-23-19/h9-10,12H,3-8,11,13H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyQQEYWYTWVXQFDG-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.41
Rot. Bonds8

About N-[(4-butoxy-3-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-[(4-butoxy-3-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 112824285) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[(4-butoxy-3-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-butoxy-3-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID112824285
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-[(4-butoxy-3-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCCCCOc1ccc(CNC(=O)c2n[nH]c3c2CCCC3)cc1OC
InChIInChI=1S/C20H27N3O3/c1-3-4-11-26-17-10-9-14(12-18(17)25-2)13-21-20(24)19-15-7-5-6-8-16(15)22-23-19/h9-10,12H,3-8,11,13H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyQQEYWYTWVXQFDG-UHFFFAOYSA-N
XLogP3.41
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.41
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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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388851
N-[(3-ethoxy-4-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 46921220
N'-[1-(3,4-dimethoxyphenyl)ethenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
CID 4230884
2-bromo-N-[(4-butoxy-3-methoxyphenyl)methyl]acetamide
CID 112547109
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 39971450
N-[(4-butoxy-3-methoxyphenyl)methyl]-2,4-dimethoxybenzamide
CID 39971385
4-hexoxy-N-[(3-methoxy-4-propoxyphenyl)methyl]benzamide
CID 54776997
N-[(3-methoxy-4-propoxyphenyl)methyl]-4-propoxybenzamide
CID 54777018
4-butoxy-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide
CID 9303955
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2-methylphenyl)acetamide
CID 39971234
N-[(4-dodecoxy-3-methoxyphenyl)methyl]-1-ethylpyridin-1-ium-4-carboxamide
CID 19014561
1-[(4-butoxy-3-methoxyphenyl)methyl]-3-cyclohexylurea
CID 46762304

Frequently Asked Questions

What is the IUPAC name of N-[(4-butoxy-3-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[(4-butoxy-3-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 112824285) is N-[(4-butoxy-3-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(4-butoxy-3-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(4-butoxy-3-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is CCCCOc1ccc(CNC(=O)c2n[nH]c3c2CCCC3)cc1OC.
What is the InChIKey of N-[(4-butoxy-3-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is QQEYWYTWVXQFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-3-4-11-26-17-10-9-14(12-18(17)25-2)13-21-20(24)19-15-7-5-6-8-16(15)22-23-19/h9-10,12H,3-8,11,13H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[(4-butoxy-3-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[(4-butoxy-3-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butoxy-3-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 112824285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).