N-ethyl-1-methylindole-3-carboxamide

C12H14N2O — CID 25348690

IUPACN-ethyl-1-methylindole-3-carboxamide
SMILESCCNC(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C12H14N2O/c1-3-13-12(15)10-8-14(2)11-7-5-4-6-9(10)11/h4-8H,3H2,1-2H3,(H,13,15)
InChIKeyJBZKPXZYJHUZCI-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.93
Rot. Bonds2

About N-ethyl-1-methylindole-3-carboxamide

N-ethyl-1-methylindole-3-carboxamide (PubChem CID 25348690) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is N-ethyl-1-methylindole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-methylindole-3-carboxamide
PubChem CID25348690
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC NameN-ethyl-1-methylindole-3-carboxamide
SMILESCCNC(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C12H14N2O/c1-3-13-12(15)10-8-14(2)11-7-5-4-6-9(10)11/h4-8H,3H2,1-2H3,(H,13,15)
InChIKeyJBZKPXZYJHUZCI-UHFFFAOYSA-N
XLogP1.93
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-2-methyl-3-[(1-methylindole-3-carbonyl)amino]propanoic acid
CID 66173597
N-(3-amino-2-methylpropyl)-1-methylindole-3-carboxamide
CID 115271613
N-(3-amino-2-hydroxy-3-oxopropyl)-1-methylindole-3-carboxamide
CID 107362608
N-[2-(2-fluorophenyl)ethyl]-1-methylindole-3-carboxamide
CID 40718604
N-[(4-methoxyphenyl)methyl]-1-methylindole-3-carboxamide
CID 9208154
2-[2-[(1-methylindole-3-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119241754
1-methyl-N-phenylindole-3-carboxamide
CID 9038340
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylindole-3-carboxamide
CID 107845947
1-methyl-N-[4-(propanoylamino)phenyl]indole-3-carboxamide
CID 47068134
N-[(2R)-1-hydroxybutan-2-yl]-1-methylindole-3-carboxamide
CID 93033635
3-hydroxy-2-[(1-methylindole-3-carbonyl)amino]propanoic acid
CID 43171666
N-[(4-hydroxycyclohexyl)methyl]-1-methylindole-3-carboxamide
CID 106122361

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methylindole-3-carboxamide?
The IUPAC name of N-ethyl-1-methylindole-3-carboxamide (CID 25348690) is N-ethyl-1-methylindole-3-carboxamide.
What is the SMILES notation for N-ethyl-1-methylindole-3-carboxamide?
The canonical SMILES for N-ethyl-1-methylindole-3-carboxamide is CCNC(=O)c1cn(C)c2ccccc12.
What is the InChIKey of N-ethyl-1-methylindole-3-carboxamide?
The InChIKey is JBZKPXZYJHUZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-3-13-12(15)10-8-14(2)11-7-5-4-6-9(10)11/h4-8H,3H2,1-2H3,(H,13,15).
What are the key properties of N-ethyl-1-methylindole-3-carboxamide?
N-ethyl-1-methylindole-3-carboxamide has a molecular weight of 202.26 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methylindole-3-carboxamide is sourced from PubChem (CID 25348690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).