1-acetyl-N,N-diethylindole-3-carboxamide

C15H18N2O2 — CID 113207891

IUPAC1-acetyl-N,N-diethylindole-3-carboxamide
SMILESCCN(CC)C(=O)c1cn(C(C)=O)c2ccccc12
InChIInChI=1S/C15H18N2O2/c1-4-16(5-2)15(19)13-10-17(11(3)18)14-9-7-6-8-12(13)14/h6-10H,4-5H2,1-3H3
InChIKeyBXUORPARYCMGMF-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.78
Rot. Bonds3

About 1-acetyl-N,N-diethylindole-3-carboxamide

1-acetyl-N,N-diethylindole-3-carboxamide (PubChem CID 113207891) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-acetyl-N,N-diethylindole-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N,N-diethylindole-3-carboxamide
PubChem CID113207891
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-acetyl-N,N-diethylindole-3-carboxamide
SMILESCCN(CC)C(=O)c1cn(C(C)=O)c2ccccc12
InChIInChI=1S/C15H18N2O2/c1-4-16(5-2)15(19)13-10-17(11(3)18)14-9-7-6-8-12(13)14/h6-10H,4-5H2,1-3H3
InChIKeyBXUORPARYCMGMF-UHFFFAOYSA-N
XLogP2.78
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N,N-diethylindole-3-carboxamide?
The IUPAC name of 1-acetyl-N,N-diethylindole-3-carboxamide (CID 113207891) is 1-acetyl-N,N-diethylindole-3-carboxamide.
What is the SMILES notation for 1-acetyl-N,N-diethylindole-3-carboxamide?
The canonical SMILES for 1-acetyl-N,N-diethylindole-3-carboxamide is CCN(CC)C(=O)c1cn(C(C)=O)c2ccccc12.
What is the InChIKey of 1-acetyl-N,N-diethylindole-3-carboxamide?
The InChIKey is BXUORPARYCMGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-4-16(5-2)15(19)13-10-17(11(3)18)14-9-7-6-8-12(13)14/h6-10H,4-5H2,1-3H3.
What are the key properties of 1-acetyl-N,N-diethylindole-3-carboxamide?
1-acetyl-N,N-diethylindole-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N,N-diethylindole-3-carboxamide is sourced from PubChem (CID 113207891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).