N-[(3-methoxyphenyl)methyl]-N-methyl-1H-indole-2-carboxamide

C18H18N2O2 — CID 29217686

IUPACN-[(3-methoxyphenyl)methyl]-N-methyl-1H-indole-2-carboxamide
SMILESCOc1cccc(CN(C)C(=O)c2cc3ccccc3[nH]2)c1
InChIInChI=1S/C18H18N2O2/c1-20(12-13-6-5-8-15(10-13)22-2)18(21)17-11-14-7-3-4-9-16(14)19-17/h3-11,19H,12H2,1-2H3
InChIKeyUJQRKGWMJHMLKQ-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.45
Rot. Bonds4

About N-[(3-methoxyphenyl)methyl]-N-methyl-1H-indole-2-carboxamide

N-[(3-methoxyphenyl)methyl]-N-methyl-1H-indole-2-carboxamide (PubChem CID 29217686) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-N-methyl-1H-indole-2-carboxamide
PubChem CID29217686
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-[(3-methoxyphenyl)methyl]-N-methyl-1H-indole-2-carboxamide
SMILESCOc1cccc(CN(C)C(=O)c2cc3ccccc3[nH]2)c1
InChIInChI=1S/C18H18N2O2/c1-20(12-13-6-5-8-15(10-13)22-2)18(21)17-11-14-7-3-4-9-16(14)19-17/h3-11,19H,12H2,1-2H3
InChIKeyUJQRKGWMJHMLKQ-UHFFFAOYSA-N
XLogP3.45
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1H-indole-2-carboxamide
CID 26444163
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
N-ethyl-N-methyl-1H-indole-2-carboxamide
CID 43421002
N-(2,2-difluoroethyl)-N-methyl-1H-indole-2-carboxamide
CID 115611586
2,5-dihydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 107722488
3-amino-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 54980615
N-ethyl-N-[[1-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide
CID 129055090
2-(4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 78762272
N-methyl-N-propan-2-yl-1H-indole-2-carboxamide
CID 43420535
N-benzyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 140931142
5-amino-N-[(3-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 61418056
N-ethyl-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 51190000

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methyl-1H-indole-2-carboxamide (CID 29217686) is N-[(3-methoxyphenyl)methyl]-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-N-methyl-1H-indole-2-carboxamide is COc1cccc(CN(C)C(=O)c2cc3ccccc3[nH]2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-N-methyl-1H-indole-2-carboxamide?
The InChIKey is UJQRKGWMJHMLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-20(12-13-6-5-8-15(10-13)22-2)18(21)17-11-14-7-3-4-9-16(14)19-17/h3-11,19H,12H2,1-2H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-N-methyl-1H-indole-2-carboxamide?
N-[(3-methoxyphenyl)methyl]-N-methyl-1H-indole-2-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 29217686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).