N-butyl-1,5-dimethylindole-2-carboxamide

C15H20N2O — CID 7329072

IUPACN-butyl-1,5-dimethylindole-2-carboxamide
SMILESCCCCNC(=O)c1cc2cc(C)ccc2n1C
InChIInChI=1S/C15H20N2O/c1-4-5-8-16-15(18)14-10-12-9-11(2)6-7-13(12)17(14)3/h6-7,9-10H,4-5,8H2,1-3H3,(H,16,18)
InChIKeyBDCSKDHSKPMABW-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.02
Rot. Bonds4

About N-butyl-1,5-dimethylindole-2-carboxamide

N-butyl-1,5-dimethylindole-2-carboxamide (PubChem CID 7329072) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-butyl-1,5-dimethylindole-2-carboxamide.

Molecular Properties

Compound NameN-butyl-1,5-dimethylindole-2-carboxamide
PubChem CID7329072
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-butyl-1,5-dimethylindole-2-carboxamide
SMILESCCCCNC(=O)c1cc2cc(C)ccc2n1C
InChIInChI=1S/C15H20N2O/c1-4-5-8-16-15(18)14-10-12-9-11(2)6-7-13(12)17(14)3/h6-7,9-10H,4-5,8H2,1-3H3,(H,16,18)
InChIKeyBDCSKDHSKPMABW-UHFFFAOYSA-N
XLogP3.02
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminopropyl)-5-hydroxy-1-methylindole-2-carboxamide
CID 110833519
1,5-dimethyl-N-(4-methylphenyl)indole-2-carboxamide
CID 7329101
N-(2-aminoethyl)-1,6-dimethylindole-2-carboxamide
CID 110833567
N-butyl-4-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 3695779
2,7-dimethyl-1-oxo-N-propylisoquinoline-3-carboxamide
CID 172892790
3-[[2-[(1,5-dimethylindole-2-carbonyl)amino]-3-methylpentanoyl]amino]propanoic acid
CID 4966647
2-[2-[(1,5-dimethylindole-2-carbonyl)amino]propanoylamino]acetic acid
CID 4967330
4-[[1-methyl-5-(trifluoromethyl)indole-2-carbonyl]amino]butanoic acid
CID 119171048
N-[3-(dimethylamino)propyl]-1-methylindole-2-carboxamide
CID 110468895
3-[(1-methylindole-2-carbonyl)amino]propyl butanoate
CID 167310044
N-[3-(2-hydroxyethoxy)propyl]-1-methyl-5-(trifluoromethyl)indole-2-carboxamide
CID 110024013
1-methyl-5-piperidin-1-ylsulfonyl-N-propylindole-2-carboxamide
CID 22579716

Frequently Asked Questions

What is the IUPAC name of N-butyl-1,5-dimethylindole-2-carboxamide?
The IUPAC name of N-butyl-1,5-dimethylindole-2-carboxamide (CID 7329072) is N-butyl-1,5-dimethylindole-2-carboxamide.
What is the SMILES notation for N-butyl-1,5-dimethylindole-2-carboxamide?
The canonical SMILES for N-butyl-1,5-dimethylindole-2-carboxamide is CCCCNC(=O)c1cc2cc(C)ccc2n1C.
What is the InChIKey of N-butyl-1,5-dimethylindole-2-carboxamide?
The InChIKey is BDCSKDHSKPMABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-4-5-8-16-15(18)14-10-12-9-11(2)6-7-13(12)17(14)3/h6-7,9-10H,4-5,8H2,1-3H3,(H,16,18).
What are the key properties of N-butyl-1,5-dimethylindole-2-carboxamide?
N-butyl-1,5-dimethylindole-2-carboxamide has a molecular weight of 244.34 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1,5-dimethylindole-2-carboxamide is sourced from PubChem (CID 7329072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).