N-benzyl-N-ethyl-6-methoxy-1H-indole-3-carboxamide

C19H20N2O2 — CID 113206541

IUPACN-benzyl-N-ethyl-6-methoxy-1H-indole-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1c[nH]c2cc(OC)ccc12
InChIInChI=1S/C19H20N2O2/c1-3-21(13-14-7-5-4-6-8-14)19(22)17-12-20-18-11-15(23-2)9-10-16(17)18/h4-12,20H,3,13H2,1-2H3
InChIKeyCTIAAJCZJUFOMR-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.84
Rot. Bonds5

About N-benzyl-N-ethyl-6-methoxy-1H-indole-3-carboxamide

N-benzyl-N-ethyl-6-methoxy-1H-indole-3-carboxamide (PubChem CID 113206541) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-benzyl-N-ethyl-6-methoxy-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-6-methoxy-1H-indole-3-carboxamide
PubChem CID113206541
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-benzyl-N-ethyl-6-methoxy-1H-indole-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1c[nH]c2cc(OC)ccc12
InChIInChI=1S/C19H20N2O2/c1-3-21(13-14-7-5-4-6-8-14)19(22)17-12-20-18-11-15(23-2)9-10-16(17)18/h4-12,20H,3,13H2,1-2H3
InChIKeyCTIAAJCZJUFOMR-UHFFFAOYSA-N
XLogP3.84
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-5-methoxy-1H-indole-3-carboxamide
CID 91755801
N-benzyl-N-ethyl-2-fluoro-4-methoxybenzamide
CID 103602990
N-benzyl-N-ethyl-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 4971091
N-benzyl-2-(6-chloro-1H-indol-3-yl)-N-ethyl-2-oxoacetamide
CID 113208765
N-benzyl-N-ethyl-2,4,6-trimethoxybenzamide
CID 110764638
6-methoxy-N-(4-phenylmethoxyphenyl)-1H-indole-3-carboxamide
CID 113206666
N-benzyl-N-(2-hydroxyethyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 110890145
6-methoxy-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113206539
N-ethyl-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 57396872
N-butyl-6-methoxy-1H-indole-3-carboxamide
CID 113206507
methyl 6-phenylmethoxy-1H-indole-3-carboxylate
CID 57455165
6-methoxy-N-[(2-methylphenyl)methyl]-1H-indole-3-carboxamide
CID 113206529

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-6-methoxy-1H-indole-3-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-6-methoxy-1H-indole-3-carboxamide (CID 113206541) is N-benzyl-N-ethyl-6-methoxy-1H-indole-3-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-6-methoxy-1H-indole-3-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-6-methoxy-1H-indole-3-carboxamide is CCN(Cc1ccccc1)C(=O)c1c[nH]c2cc(OC)ccc12.
What is the InChIKey of N-benzyl-N-ethyl-6-methoxy-1H-indole-3-carboxamide?
The InChIKey is CTIAAJCZJUFOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-3-21(13-14-7-5-4-6-8-14)19(22)17-12-20-18-11-15(23-2)9-10-16(17)18/h4-12,20H,3,13H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-6-methoxy-1H-indole-3-carboxamide?
N-benzyl-N-ethyl-6-methoxy-1H-indole-3-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-6-methoxy-1H-indole-3-carboxamide is sourced from PubChem (CID 113206541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).