N-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole-2-carboxamide

C19H20N2O4 — CID 9483409

IUPACN-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole-2-carboxamide
SMILESCOc1cc(CNC(=O)c2cc3ccccc3[nH]2)cc(OC)c1OC
InChIInChI=1S/C19H20N2O4/c1-23-16-8-12(9-17(24-2)18(16)25-3)11-20-19(22)15-10-13-6-4-5-7-14(13)21-15/h4-10,21H,11H2,1-3H3,(H,20,22)
InChIKeyDMWBBDPDMYMMMV-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.12
Rot. Bonds6

About N-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole-2-carboxamide

N-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole-2-carboxamide (PubChem CID 9483409) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole-2-carboxamide
PubChem CID9483409
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole-2-carboxamide
SMILESCOc1cc(CNC(=O)c2cc3ccccc3[nH]2)cc(OC)c1OC
InChIInChI=1S/C19H20N2O4/c1-23-16-8-12(9-17(24-2)18(16)25-3)11-20-19(22)15-10-13-6-4-5-7-14(13)21-15/h4-10,21H,11H2,1-3H3,(H,20,22)
InChIKeyDMWBBDPDMYMMMV-UHFFFAOYSA-N
XLogP3.12
TPSA72.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 9270219
N-[(2,5-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 34866358
N-benzyl-1H-indole-2-carboxamide;N-benzyl-1-methylindole-2-carboxamide;[5-[(1H-indole-2-carbonylamino)methyl]-2-methoxyphenyl] 3,4,5-trimethoxybenzoate
CID 158989628
N-benzyl-5,6-dimethoxy-1H-indole-2-carboxamide;hydrochloride
CID 44664335
N-[(3,4,5-trimethoxyphenyl)methyl]naphthalene-2-carboxamide
CID 41261586
[4-[(1H-indole-2-carbonylamino)methyl]phenyl]boronic acid
CID 140927918
N-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide
CID 46921176
N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 9483304
N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-1H-indole-2-carboxamide
CID 113207316
N-(furan-3-ylmethyl)-1H-indole-2-carboxamide
CID 47034241
N-(cyanomethyl)-1H-indole-2-carboxamide
CID 61260784
N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 26445074

Frequently Asked Questions

What is the IUPAC name of N-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole-2-carboxamide (CID 9483409) is N-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole-2-carboxamide is COc1cc(CNC(=O)c2cc3ccccc3[nH]2)cc(OC)c1OC.
What is the InChIKey of N-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole-2-carboxamide?
The InChIKey is DMWBBDPDMYMMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-23-16-8-12(9-17(24-2)18(16)25-3)11-20-19(22)15-10-13-6-4-5-7-14(13)21-15/h4-10,21H,11H2,1-3H3,(H,20,22).
What are the key properties of N-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole-2-carboxamide?
N-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole-2-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 9483409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).