N-[3-(dimethylamino)-3-oxopropyl]-1-ethylindole-2-carboxamide

C16H21N3O2 — CID 47066990

IUPACN-[3-(dimethylamino)-3-oxopropyl]-1-ethylindole-2-carboxamide
SMILESCCn1c(C(=O)NCCC(=O)N(C)C)cc2ccccc21
InChIInChI=1S/C16H21N3O2/c1-4-19-13-8-6-5-7-12(13)11-14(19)16(21)17-10-9-15(20)18(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,17,21)
InChIKeyOAWUEVJQTRXTHY-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.87
Rot. Bonds5

About N-[3-(dimethylamino)-3-oxopropyl]-1-ethylindole-2-carboxamide

N-[3-(dimethylamino)-3-oxopropyl]-1-ethylindole-2-carboxamide (PubChem CID 47066990) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[3-(dimethylamino)-3-oxopropyl]-1-ethylindole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-3-oxopropyl]-1-ethylindole-2-carboxamide
PubChem CID47066990
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[3-(dimethylamino)-3-oxopropyl]-1-ethylindole-2-carboxamide
SMILESCCn1c(C(=O)NCCC(=O)N(C)C)cc2ccccc21
InChIInChI=1S/C16H21N3O2/c1-4-19-13-8-6-5-7-12(13)11-14(19)16(21)17-10-9-15(20)18(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,17,21)
InChIKeyOAWUEVJQTRXTHY-UHFFFAOYSA-N
XLogP1.87
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-3-oxopropyl]-1-ethylindole-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-3-oxopropyl]-1-ethylindole-2-carboxamide (CID 47066990) is N-[3-(dimethylamino)-3-oxopropyl]-1-ethylindole-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-3-oxopropyl]-1-ethylindole-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-3-oxopropyl]-1-ethylindole-2-carboxamide is CCn1c(C(=O)NCCC(=O)N(C)C)cc2ccccc21.
What is the InChIKey of N-[3-(dimethylamino)-3-oxopropyl]-1-ethylindole-2-carboxamide?
The InChIKey is OAWUEVJQTRXTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-19-13-8-6-5-7-12(13)11-14(19)16(21)17-10-9-15(20)18(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,17,21).
What are the key properties of N-[3-(dimethylamino)-3-oxopropyl]-1-ethylindole-2-carboxamide?
N-[3-(dimethylamino)-3-oxopropyl]-1-ethylindole-2-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-3-oxopropyl]-1-ethylindole-2-carboxamide is sourced from PubChem (CID 47066990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).