1-[2-(dimethylamino)ethyl]-3-methoxy-N-methylindole-2-carboxamide

C15H21N3O2 — CID 3060303

IUPAC1-[2-(dimethylamino)ethyl]-3-methoxy-N-methylindole-2-carboxamide
SMILESCNC(=O)c1c(OC)c2ccccc2n1CCN(C)C
InChIInChI=1S/C15H21N3O2/c1-16-15(19)13-14(20-4)11-7-5-6-8-12(11)18(13)10-9-17(2)3/h5-8H,9-10H2,1-4H3,(H,16,19)
InChIKeyOHCRBKDZRRXUPY-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.57
Rot. Bonds5

About 1-[2-(dimethylamino)ethyl]-3-methoxy-N-methylindole-2-carboxamide

1-[2-(dimethylamino)ethyl]-3-methoxy-N-methylindole-2-carboxamide (PubChem CID 3060303) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-methoxy-N-methylindole-2-carboxamide.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-methoxy-N-methylindole-2-carboxamide
PubChem CID3060303
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-[2-(dimethylamino)ethyl]-3-methoxy-N-methylindole-2-carboxamide
SMILESCNC(=O)c1c(OC)c2ccccc2n1CCN(C)C
InChIInChI=1S/C15H21N3O2/c1-16-15(19)13-14(20-4)11-7-5-6-8-12(11)18(13)10-9-17(2)3/h5-8H,9-10H2,1-4H3,(H,16,19)
InChIKeyOHCRBKDZRRXUPY-UHFFFAOYSA-N
XLogP1.57
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-methoxy-N-methylindole-2-carboxamide?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-methoxy-N-methylindole-2-carboxamide (CID 3060303) is 1-[2-(dimethylamino)ethyl]-3-methoxy-N-methylindole-2-carboxamide.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-methoxy-N-methylindole-2-carboxamide?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-methoxy-N-methylindole-2-carboxamide is CNC(=O)c1c(OC)c2ccccc2n1CCN(C)C.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-methoxy-N-methylindole-2-carboxamide?
The InChIKey is OHCRBKDZRRXUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-16-15(19)13-14(20-4)11-7-5-6-8-12(11)18(13)10-9-17(2)3/h5-8H,9-10H2,1-4H3,(H,16,19).
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-methoxy-N-methylindole-2-carboxamide?
1-[2-(dimethylamino)ethyl]-3-methoxy-N-methylindole-2-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-methoxy-N-methylindole-2-carboxamide is sourced from PubChem (CID 3060303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).