1,5-diethyl-N-(2-hydroxypropyl)-3-methylindole-2-carboxamide

C17H24N2O2 — CID 110497470

IUPAC1,5-diethyl-N-(2-hydroxypropyl)-3-methylindole-2-carboxamide
SMILESCCc1ccc2c(c1)c(C)c(C(=O)NCC(C)O)n2CC
InChIInChI=1S/C17H24N2O2/c1-5-13-7-8-15-14(9-13)12(4)16(19(15)6-2)17(21)18-10-11(3)20/h7-9,11,20H,5-6,10H2,1-4H3,(H,18,21)
InChIKeyINDXZKADZQCFBD-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.64
Rot. Bonds5

About 1,5-diethyl-N-(2-hydroxypropyl)-3-methylindole-2-carboxamide

1,5-diethyl-N-(2-hydroxypropyl)-3-methylindole-2-carboxamide (PubChem CID 110497470) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1,5-diethyl-N-(2-hydroxypropyl)-3-methylindole-2-carboxamide.

Molecular Properties

Compound Name1,5-diethyl-N-(2-hydroxypropyl)-3-methylindole-2-carboxamide
PubChem CID110497470
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1,5-diethyl-N-(2-hydroxypropyl)-3-methylindole-2-carboxamide
SMILESCCc1ccc2c(c1)c(C)c(C(=O)NCC(C)O)n2CC
InChIInChI=1S/C17H24N2O2/c1-5-13-7-8-15-14(9-13)12(4)16(19(15)6-2)17(21)18-10-11(3)20/h7-9,11,20H,5-6,10H2,1-4H3,(H,18,21)
InChIKeyINDXZKADZQCFBD-UHFFFAOYSA-N
XLogP2.64
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-[(1,5-diethyl-3-methylindole-2-carbonyl)amino]butanoic acid
CID 110497523
N-(4-bromophenyl)-1,5-diethyl-3-methylindole-2-carboxamide
CID 110501716
ethyl 4-[(1,5-diethyl-3-methylindole-2-carbonyl)amino]benzoate
CID 110501627
1,5-diethyl-3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide
CID 110497558
N-(2,4-dimethylphenyl)-1,5-diethyl-3-methylindole-2-carboxamide
CID 110501710
N-[2-(cyclohexen-1-yl)ethyl]-1,5-diethyl-3-methylindole-2-carboxamide
CID 110497534
1,5-diethyl-3-methyl-N-[2-(trifluoromethyl)phenyl]indole-2-carboxamide
CID 110501721
2-[(1,5-diethyl-3-methylindole-2-carbonyl)amino]benzoic acid
CID 110501763
N-(2-bromo-4-methylphenyl)-1,5-diethyl-3-methylindole-2-carboxamide
CID 110501795
N-(4-chloro-2-methylphenyl)-1,5-diethyl-3-methylindole-2-carboxamide
CID 110501629
3-[(1,5-diethyl-3-methylindole-2-carbonyl)amino]benzoic acid
CID 110501677
1,5-diethyl-N-(2-methoxyphenyl)-3-methylindole-2-carboxamide
CID 110501729

Frequently Asked Questions

What is the IUPAC name of 1,5-diethyl-N-(2-hydroxypropyl)-3-methylindole-2-carboxamide?
The IUPAC name of 1,5-diethyl-N-(2-hydroxypropyl)-3-methylindole-2-carboxamide (CID 110497470) is 1,5-diethyl-N-(2-hydroxypropyl)-3-methylindole-2-carboxamide.
What is the SMILES notation for 1,5-diethyl-N-(2-hydroxypropyl)-3-methylindole-2-carboxamide?
The canonical SMILES for 1,5-diethyl-N-(2-hydroxypropyl)-3-methylindole-2-carboxamide is CCc1ccc2c(c1)c(C)c(C(=O)NCC(C)O)n2CC.
What is the InChIKey of 1,5-diethyl-N-(2-hydroxypropyl)-3-methylindole-2-carboxamide?
The InChIKey is INDXZKADZQCFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-5-13-7-8-15-14(9-13)12(4)16(19(15)6-2)17(21)18-10-11(3)20/h7-9,11,20H,5-6,10H2,1-4H3,(H,18,21).
What are the key properties of 1,5-diethyl-N-(2-hydroxypropyl)-3-methylindole-2-carboxamide?
1,5-diethyl-N-(2-hydroxypropyl)-3-methylindole-2-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diethyl-N-(2-hydroxypropyl)-3-methylindole-2-carboxamide is sourced from PubChem (CID 110497470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).