1-ethyl-2,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]indole-5-carboxamide

C19H22N2O2 — CID 20940113

IUPAC1-ethyl-2,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]indole-5-carboxamide
SMILESCCn1c(C)c(C)c2cc(C(=O)NCc3ccc(C)o3)ccc21
InChIInChI=1S/C19H22N2O2/c1-5-21-14(4)13(3)17-10-15(7-9-18(17)21)19(22)20-11-16-8-6-12(2)23-16/h6-10H,5,11H2,1-4H3,(H,20,22)
InChIKeyJCBDVANOTUFDJI-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.11
Rot. Bonds4

About 1-ethyl-2,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]indole-5-carboxamide

1-ethyl-2,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]indole-5-carboxamide (PubChem CID 20940113) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-ethyl-2,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]indole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-2,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]indole-5-carboxamide
PubChem CID20940113
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-ethyl-2,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]indole-5-carboxamide
SMILESCCn1c(C)c(C)c2cc(C(=O)NCc3ccc(C)o3)ccc21
InChIInChI=1S/C19H22N2O2/c1-5-21-14(4)13(3)17-10-15(7-9-18(17)21)19(22)20-11-16-8-6-12(2)23-16/h6-10H,5,11H2,1-4H3,(H,20,22)
InChIKeyJCBDVANOTUFDJI-UHFFFAOYSA-N
XLogP4.11
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-methyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoquinoxaline-6-carboxamide
CID 53058290
N-[(3-chlorophenyl)methyl]-1-ethyl-2,3-dimethylindole-5-carboxamide
CID 20940057
1-ethyl-2,3-dimethyl-N-(pyridin-2-ylmethyl)indole-5-carboxamide
CID 35524105
1-ethyl-2,3-dimethylindole-5-carboxylic acid
CID 608826
3,4-dichloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731633
1-methyl-N-[(5-methylfuran-2-yl)methyl]benzotriazole-5-carboxamide
CID 53051567
N,1-dibenzyl-2,3-dimethylindole-5-carboxamide
CID 20940123
4-fluoro-3-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 63213507
4-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731652
3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731628
N-(5-chloro-2-pyridinyl)-1-ethyl-2,3-dimethylindole-5-carboxamide
CID 35333872
6-(methylamino)-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide
CID 62523594

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]indole-5-carboxamide?
The IUPAC name of 1-ethyl-2,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]indole-5-carboxamide (CID 20940113) is 1-ethyl-2,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]indole-5-carboxamide.
What is the SMILES notation for 1-ethyl-2,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]indole-5-carboxamide?
The canonical SMILES for 1-ethyl-2,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]indole-5-carboxamide is CCn1c(C)c(C)c2cc(C(=O)NCc3ccc(C)o3)ccc21.
What is the InChIKey of 1-ethyl-2,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]indole-5-carboxamide?
The InChIKey is JCBDVANOTUFDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-5-21-14(4)13(3)17-10-15(7-9-18(17)21)19(22)20-11-16-8-6-12(2)23-16/h6-10H,5,11H2,1-4H3,(H,20,22).
What are the key properties of 1-ethyl-2,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]indole-5-carboxamide?
1-ethyl-2,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]indole-5-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]indole-5-carboxamide is sourced from PubChem (CID 20940113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).