4,6,7-trimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-1H-indole-2-carboxamide

C23H28N2O5 — CID 55869036

IUPAC4,6,7-trimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-1H-indole-2-carboxamide
SMILESCOc1cc(OC)c2cc(C(=O)NCc3ccc(COC(C)C)cc3)[nH]c2c1OC
InChIInChI=1S/C23H28N2O5/c1-14(2)30-13-16-8-6-15(7-9-16)12-24-23(26)18-10-17-19(27-3)11-20(28-4)22(29-5)21(17)25-18/h6-11,14,25H,12-13H2,1-5H3,(H,24,26)
InChIKeyCRXJDSNXIQXOQY-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.05
Rot. Bonds9

About 4,6,7-trimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-1H-indole-2-carboxamide

4,6,7-trimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-1H-indole-2-carboxamide (PubChem CID 55869036) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is 4,6,7-trimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4,6,7-trimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-1H-indole-2-carboxamide
PubChem CID55869036
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC Name4,6,7-trimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-1H-indole-2-carboxamide
SMILESCOc1cc(OC)c2cc(C(=O)NCc3ccc(COC(C)C)cc3)[nH]c2c1OC
InChIInChI=1S/C23H28N2O5/c1-14(2)30-13-16-8-6-15(7-9-16)12-24-23(26)18-10-17-19(27-3)11-20(28-4)22(29-5)21(17)25-18/h6-11,14,25H,12-13H2,1-5H3,(H,24,26)
InChIKeyCRXJDSNXIQXOQY-UHFFFAOYSA-N
XLogP4.05
TPSA81.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,6,7-trimethoxy-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide
CID 39904436
4,6,7-trimethoxy-N-[[3-(methylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 31953617
N-[(4-butoxy-3-methoxyphenyl)methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 39970249
3,4-dimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-5-prop-2-enylbenzamide
CID 55748619
4,6,7-trimethoxy-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1H-indole-2-carboxamide
CID 47029950
3,5-dimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 47043818
N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 55725072
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 86968543
4,6,7-trimethoxy-N-[4-(propanoylamino)phenyl]-1H-indole-2-carboxamide
CID 55847127
N-[2-(4-chlorophenyl)sulfanylethyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 39943500
N-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 9483409
N-[2-(N-ethyl-3-methylanilino)ethyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 46438107

Frequently Asked Questions

What is the IUPAC name of 4,6,7-trimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of 4,6,7-trimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-1H-indole-2-carboxamide (CID 55869036) is 4,6,7-trimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 4,6,7-trimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 4,6,7-trimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-1H-indole-2-carboxamide is COc1cc(OC)c2cc(C(=O)NCc3ccc(COC(C)C)cc3)[nH]c2c1OC.
What is the InChIKey of 4,6,7-trimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-1H-indole-2-carboxamide?
The InChIKey is CRXJDSNXIQXOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-14(2)30-13-16-8-6-15(7-9-16)12-24-23(26)18-10-17-19(27-3)11-20(28-4)22(29-5)21(17)25-18/h6-11,14,25H,12-13H2,1-5H3,(H,24,26).
What are the key properties of 4,6,7-trimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-1H-indole-2-carboxamide?
4,6,7-trimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-1H-indole-2-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 4.05, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,7-trimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 55869036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).