N-(2-benzyl-1H-indol-3-yl)-N-ethylacetamide

C19H20N2O — CID 67842609

IUPACN-(2-benzyl-1H-indol-3-yl)-N-ethylacetamide
SMILESCCN(C(C)=O)c1c(Cc2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C19H20N2O/c1-3-21(14(2)22)19-16-11-7-8-12-17(16)20-18(19)13-15-9-5-4-6-10-15/h4-12,20H,3,13H2,1-2H3
InChIKeyKQXVPTUDZGRJLH-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.13
Rot. Bonds4

About N-(2-benzyl-1H-indol-3-yl)-N-ethylacetamide

N-(2-benzyl-1H-indol-3-yl)-N-ethylacetamide (PubChem CID 67842609) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is N-(2-benzyl-1H-indol-3-yl)-N-ethylacetamide.

Molecular Properties

Compound NameN-(2-benzyl-1H-indol-3-yl)-N-ethylacetamide
PubChem CID67842609
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC NameN-(2-benzyl-1H-indol-3-yl)-N-ethylacetamide
SMILESCCN(C(C)=O)c1c(Cc2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C19H20N2O/c1-3-21(14(2)22)19-16-11-7-8-12-17(16)20-18(19)13-15-9-5-4-6-10-15/h4-12,20H,3,13H2,1-2H3
InChIKeyKQXVPTUDZGRJLH-UHFFFAOYSA-N
XLogP4.13
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-1H-indol-3-yl)-N-ethylacetamide?
The IUPAC name of N-(2-benzyl-1H-indol-3-yl)-N-ethylacetamide (CID 67842609) is N-(2-benzyl-1H-indol-3-yl)-N-ethylacetamide.
What is the SMILES notation for N-(2-benzyl-1H-indol-3-yl)-N-ethylacetamide?
The canonical SMILES for N-(2-benzyl-1H-indol-3-yl)-N-ethylacetamide is CCN(C(C)=O)c1c(Cc2ccccc2)[nH]c2ccccc12.
What is the InChIKey of N-(2-benzyl-1H-indol-3-yl)-N-ethylacetamide?
The InChIKey is KQXVPTUDZGRJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-3-21(14(2)22)19-16-11-7-8-12-17(16)20-18(19)13-15-9-5-4-6-10-15/h4-12,20H,3,13H2,1-2H3.
What are the key properties of N-(2-benzyl-1H-indol-3-yl)-N-ethylacetamide?
N-(2-benzyl-1H-indol-3-yl)-N-ethylacetamide has a molecular weight of 292.38 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-1H-indol-3-yl)-N-ethylacetamide is sourced from PubChem (CID 67842609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).