N-[(4-butoxy-3-methoxyphenyl)methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide

C24H30N2O6 — CID 39970249

IUPACN-[(4-butoxy-3-methoxyphenyl)methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
SMILESCCCCOc1ccc(CNC(=O)c2cc3c(OC)cc(OC)c(OC)c3[nH]2)cc1OC
InChIInChI=1S/C24H30N2O6/c1-6-7-10-32-18-9-8-15(11-20(18)29-3)14-25-24(27)17-12-16-19(28-2)13-21(30-4)23(31-5)22(16)26-17/h8-9,11-13,26H,6-7,10,14H2,1-5H3,(H,25,27)
InChIKeyQIRRCZRCFCIYAS-UHFFFAOYSA-N
MW442.51 g/mol
LogP4.31
Rot. Bonds11

About N-[(4-butoxy-3-methoxyphenyl)methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide

N-[(4-butoxy-3-methoxyphenyl)methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide (PubChem CID 39970249) has the molecular formula C24H30N2O6 and a molecular weight of 442.51 g/mol. Its IUPAC name is N-[(4-butoxy-3-methoxyphenyl)methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-butoxy-3-methoxyphenyl)methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
PubChem CID39970249
Molecular FormulaC24H30N2O6
Molecular Weight442.51 g/mol
Exact Mass442.21
IUPAC NameN-[(4-butoxy-3-methoxyphenyl)methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
SMILESCCCCOc1ccc(CNC(=O)c2cc3c(OC)cc(OC)c(OC)c3[nH]2)cc1OC
InChIInChI=1S/C24H30N2O6/c1-6-7-10-32-18-9-8-15(11-20(18)29-3)14-25-24(27)17-12-16-19(28-2)13-21(30-4)23(31-5)22(16)26-17/h8-9,11-13,26H,6-7,10,14H2,1-5H3,(H,25,27)
InChIKeyQIRRCZRCFCIYAS-UHFFFAOYSA-N
XLogP4.31
TPSA91.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4,6,7-trimethoxy-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide
CID 39904436
2-bromo-N-[(4-butoxy-3-methoxyphenyl)methyl]acetamide
CID 112547109
4,6,7-trimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 55869036
4,6,7-trimethoxy-N-[[3-(methylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 31953617
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2,4-dimethoxyphenyl)acetamide
CID 39971219
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 39971450
N-[(4-butoxy-3-methoxyphenyl)methyl]-2,4-dimethoxybenzamide
CID 39971385
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2-methylphenyl)acetamide
CID 39971234
N-[(4-dodecoxy-3-methoxyphenyl)methyl]-1-propylpyridin-1-ium-4-carboxamide iodide
CID 19015279
N-[(4-dodecoxy-3-methoxyphenyl)methyl]-1-ethylpyridin-1-ium-4-carboxamide
CID 19014561
2-(4-dodecoxy-3-methoxyphenyl)-N-[(1-propylpyridin-1-ium-4-yl)methyl]acetamide iodide
CID 19015833
N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 55725072

Frequently Asked Questions

What is the IUPAC name of N-[(4-butoxy-3-methoxyphenyl)methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[(4-butoxy-3-methoxyphenyl)methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide (CID 39970249) is N-[(4-butoxy-3-methoxyphenyl)methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(4-butoxy-3-methoxyphenyl)methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[(4-butoxy-3-methoxyphenyl)methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide is CCCCOc1ccc(CNC(=O)c2cc3c(OC)cc(OC)c(OC)c3[nH]2)cc1OC.
What is the InChIKey of N-[(4-butoxy-3-methoxyphenyl)methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide?
The InChIKey is QIRRCZRCFCIYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O6/c1-6-7-10-32-18-9-8-15(11-20(18)29-3)14-25-24(27)17-12-16-19(28-2)13-21(30-4)23(31-5)22(16)26-17/h8-9,11-13,26H,6-7,10,14H2,1-5H3,(H,25,27).
What are the key properties of N-[(4-butoxy-3-methoxyphenyl)methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide?
N-[(4-butoxy-3-methoxyphenyl)methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide has a molecular weight of 442.51 g/mol, XLogP of 4.31, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butoxy-3-methoxyphenyl)methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 39970249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).