1-methyl-N,N-dipropylindole-3-carboxamide

C16H22N2O — CID 110762474

IUPAC1-methyl-N,N-dipropylindole-3-carboxamide
SMILESCCCN(CCC)C(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C16H22N2O/c1-4-10-18(11-5-2)16(19)14-12-17(3)15-9-7-6-8-13(14)15/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyBAFDTXFCKKTMLE-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.44
Rot. Bonds5

About 1-methyl-N,N-dipropylindole-3-carboxamide

1-methyl-N,N-dipropylindole-3-carboxamide (PubChem CID 110762474) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-methyl-N,N-dipropylindole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N,N-dipropylindole-3-carboxamide
PubChem CID110762474
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name1-methyl-N,N-dipropylindole-3-carboxamide
SMILESCCCN(CCC)C(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C16H22N2O/c1-4-10-18(11-5-2)16(19)14-12-17(3)15-9-7-6-8-13(14)15/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyBAFDTXFCKKTMLE-UHFFFAOYSA-N
XLogP3.44
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 63650839
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2-(1-methylindol-3-yl)-2-oxo-N-propylacetamide
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4-[methyl-(1-methylindole-3-carbonyl)amino]butanoic acid
CID 43360106
1-methylindole-3-carbothioic S-acid
CID 116918837
1-(1-methylindol-3-yl)octan-1-one
CID 43340220
N-butyl-2-(1-methylindol-3-yl)-2-oxoacetamide
CID 44596466
2-(1-methylindol-3-yl)-N-propylpent-2-enamide
CID 140983221
N-benzyl-1-methyl-N-propan-2-ylindole-3-carboxamide
CID 113205582
N-benzyl-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-methylindole-3-carboxamide
CID 42785998
1-acetyl-N,N-diethylindole-3-carboxamide
CID 113207891

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N,N-dipropylindole-3-carboxamide?
The IUPAC name of 1-methyl-N,N-dipropylindole-3-carboxamide (CID 110762474) is 1-methyl-N,N-dipropylindole-3-carboxamide.
What is the SMILES notation for 1-methyl-N,N-dipropylindole-3-carboxamide?
The canonical SMILES for 1-methyl-N,N-dipropylindole-3-carboxamide is CCCN(CCC)C(=O)c1cn(C)c2ccccc12.
What is the InChIKey of 1-methyl-N,N-dipropylindole-3-carboxamide?
The InChIKey is BAFDTXFCKKTMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-10-18(11-5-2)16(19)14-12-17(3)15-9-7-6-8-13(14)15/h6-9,12H,4-5,10-11H2,1-3H3.
What are the key properties of 1-methyl-N,N-dipropylindole-3-carboxamide?
1-methyl-N,N-dipropylindole-3-carboxamide has a molecular weight of 258.36 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N,N-dipropylindole-3-carboxamide is sourced from PubChem (CID 110762474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).