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

C20H22N2O4 — CID 39904436

IUPAC4,6,7-trimethoxy-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide
SMILESCOc1cc(OC)c2cc(C(=O)NCc3ccc(C)cc3)[nH]c2c1OC
InChIInChI=1S/C20H22N2O4/c1-12-5-7-13(8-6-12)11-21-20(23)15-9-14-16(24-2)10-17(25-3)19(26-4)18(14)22-15/h5-10,22H,11H2,1-4H3,(H,21,23)
InChIKeyOVHMBEQTLJKFSX-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.43
Rot. Bonds6

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

4,6,7-trimethoxy-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide (PubChem CID 39904436) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4,6,7-trimethoxy-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4,6,7-trimethoxy-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide
PubChem CID39904436
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name4,6,7-trimethoxy-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide
SMILESCOc1cc(OC)c2cc(C(=O)NCc3ccc(C)cc3)[nH]c2c1OC
InChIInChI=1S/C20H22N2O4/c1-12-5-7-13(8-6-12)11-21-20(23)15-9-14-16(24-2)10-17(25-3)19(26-4)18(14)22-15/h5-10,22H,11H2,1-4H3,(H,21,23)
InChIKeyOVHMBEQTLJKFSX-UHFFFAOYSA-N
XLogP3.43
TPSA72.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,6,7-trimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 55869036
N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 55725072
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
4,6,7-trimethoxy-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1H-indole-2-carboxamide
CID 47029950
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 86968543
2-amino-3,4,5-trimethoxy-N-[(4-methylphenyl)methyl]benzamide
CID 110181256
N-[2-(N-ethyl-3-methylanilino)ethyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 46438107
2,4-dimethoxy-3-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 110763344
2,6-dimethoxy-N-[(4-methylphenyl)methyl]benzamide
CID 743463
3,4,5-trimethoxy-N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]benzamide
CID 17320425
N-[(4-methylphenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 110698232

Frequently Asked Questions

What is the IUPAC name of 4,6,7-trimethoxy-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of 4,6,7-trimethoxy-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide (CID 39904436) is 4,6,7-trimethoxy-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 4,6,7-trimethoxy-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 4,6,7-trimethoxy-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide is COc1cc(OC)c2cc(C(=O)NCc3ccc(C)cc3)[nH]c2c1OC.
What is the InChIKey of 4,6,7-trimethoxy-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide?
The InChIKey is OVHMBEQTLJKFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-12-5-7-13(8-6-12)11-21-20(23)15-9-14-16(24-2)10-17(25-3)19(26-4)18(14)22-15/h5-10,22H,11H2,1-4H3,(H,21,23).
What are the key properties of 4,6,7-trimethoxy-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide?
4,6,7-trimethoxy-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,7-trimethoxy-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 39904436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).