N-butyl-N-methyl-1H-indole-5-carboxamide

C14H18N2O — CID 63717689

IUPACN-butyl-N-methyl-1H-indole-5-carboxamide
SMILESCCCCN(C)C(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C14H18N2O/c1-3-4-9-16(2)14(17)12-5-6-13-11(10-12)7-8-15-13/h5-8,10,15H,3-4,9H2,1-2H3
InChIKeyBQIDKXSVEIRHQP-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.04
Rot. Bonds4

About N-butyl-N-methyl-1H-indole-5-carboxamide

N-butyl-N-methyl-1H-indole-5-carboxamide (PubChem CID 63717689) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-butyl-N-methyl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-1H-indole-5-carboxamide
PubChem CID63717689
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-butyl-N-methyl-1H-indole-5-carboxamide
SMILESCCCCN(C)C(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C14H18N2O/c1-3-4-9-16(2)14(17)12-5-6-13-11(10-12)7-8-15-13/h5-8,10,15H,3-4,9H2,1-2H3
InChIKeyBQIDKXSVEIRHQP-UHFFFAOYSA-N
XLogP3.04
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[1H-indole-6-carbonyl(methyl)amino]butanoic acid
CID 63749646
N-methyl-N-(3-methylsulfanylpropyl)-1H-indole-6-carboxamide
CID 114217639
2-[1H-indole-5-carbonyl(methyl)amino]butanoic acid
CID 63748775
N-ethyl-N-(3-hydroxypropyl)-1H-indole-5-carboxamide
CID 115771732
N-methyl-N-(4-methylpentan-2-yl)-1H-indole-5-carboxamide
CID 63716577
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-1H-indole-5-carboxamide
CID 63719157
N-(2,2-difluoroethyl)-N-methyl-1H-indole-6-carboxamide
CID 113231691
hexyl 1H-indole-5-carboxylate
CID 90708672
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1H-indole-5-carboxamide
CID 63717490
N-butyl-N-methyl-4-oxo-1H-pyridine-2-carboxamide
CID 110855738
N-butyl-4-(diethylamino)-N-methylbenzamide
CID 78796145
4-[butyl(methyl)carbamoyl]benzoic acid
CID 43452774

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-1H-indole-5-carboxamide?
The IUPAC name of N-butyl-N-methyl-1H-indole-5-carboxamide (CID 63717689) is N-butyl-N-methyl-1H-indole-5-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-1H-indole-5-carboxamide?
The canonical SMILES for N-butyl-N-methyl-1H-indole-5-carboxamide is CCCCN(C)C(=O)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-butyl-N-methyl-1H-indole-5-carboxamide?
The InChIKey is BQIDKXSVEIRHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-4-9-16(2)14(17)12-5-6-13-11(10-12)7-8-15-13/h5-8,10,15H,3-4,9H2,1-2H3.
What are the key properties of N-butyl-N-methyl-1H-indole-5-carboxamide?
N-butyl-N-methyl-1H-indole-5-carboxamide has a molecular weight of 230.31 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-1H-indole-5-carboxamide is sourced from PubChem (CID 63717689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).