N-benzyl-1-butyl-N-(2-hydroxyethyl)-3-methylindole-2-carboxamide

C23H28N2O2 — CID 110498707

IUPACN-benzyl-1-butyl-N-(2-hydroxyethyl)-3-methylindole-2-carboxamide
SMILESCCCCn1c(C(=O)N(CCO)Cc2ccccc2)c(C)c2ccccc21
InChIInChI=1S/C23H28N2O2/c1-3-4-14-25-21-13-9-8-12-20(21)18(2)22(25)23(27)24(15-16-26)17-19-10-6-5-7-11-19/h5-13,26H,3-4,14-17H2,1-2H3
InChIKeyQHODBIYALPWVDX-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.38
Rot. Bonds8

About N-benzyl-1-butyl-N-(2-hydroxyethyl)-3-methylindole-2-carboxamide

N-benzyl-1-butyl-N-(2-hydroxyethyl)-3-methylindole-2-carboxamide (PubChem CID 110498707) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-benzyl-1-butyl-N-(2-hydroxyethyl)-3-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-butyl-N-(2-hydroxyethyl)-3-methylindole-2-carboxamide
PubChem CID110498707
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-benzyl-1-butyl-N-(2-hydroxyethyl)-3-methylindole-2-carboxamide
SMILESCCCCn1c(C(=O)N(CCO)Cc2ccccc2)c(C)c2ccccc21
InChIInChI=1S/C23H28N2O2/c1-3-4-14-25-21-13-9-8-12-20(21)18(2)22(25)23(27)24(15-16-26)17-19-10-6-5-7-11-19/h5-13,26H,3-4,14-17H2,1-2H3
InChIKeyQHODBIYALPWVDX-UHFFFAOYSA-N
XLogP4.38
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-N,N-bis(2-methoxyethyl)-3-methylindole-2-carboxamide
CID 110498665
2-[(1-butyl-3-methylindole-2-carbonyl)-methylamino]acetic acid
CID 110498687
4-[(1-butyl-3-methylindole-2-carbonyl)amino]butanoic acid
CID 110497307
1-butyl-N-[4-(diethylamino)butyl]-3-methylindole-2-carboxamide
CID 110497326
5-butyl-N,N-bis(2-hydroxyethyl)-6-oxophenanthridine-2-carboxamide
CID 90682824
N-benzyl-N-(2-hydroxyethyl)-2,2-dimethylbutanamide
CID 62679186
1-butyl-N-[2-(4-methoxyphenyl)ethyl]-3-methylindole-2-carboxamide
CID 110497281
1-butyl-N-(2,6-dichlorophenyl)-3-methylindole-2-carboxamide
CID 110501258
N-benzyl-N-(2-hydroxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 110886514
1-butyl-3-methyl-N-pyridin-4-ylindole-2-carboxamide
CID 110501411
1-butyl-3-methyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
CID 110497283
1-butyl-N-(4-tert-butylphenyl)-3-methylindole-2-carboxamide
CID 110501283

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-butyl-N-(2-hydroxyethyl)-3-methylindole-2-carboxamide?
The IUPAC name of N-benzyl-1-butyl-N-(2-hydroxyethyl)-3-methylindole-2-carboxamide (CID 110498707) is N-benzyl-1-butyl-N-(2-hydroxyethyl)-3-methylindole-2-carboxamide.
What is the SMILES notation for N-benzyl-1-butyl-N-(2-hydroxyethyl)-3-methylindole-2-carboxamide?
The canonical SMILES for N-benzyl-1-butyl-N-(2-hydroxyethyl)-3-methylindole-2-carboxamide is CCCCn1c(C(=O)N(CCO)Cc2ccccc2)c(C)c2ccccc21.
What is the InChIKey of N-benzyl-1-butyl-N-(2-hydroxyethyl)-3-methylindole-2-carboxamide?
The InChIKey is QHODBIYALPWVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-3-4-14-25-21-13-9-8-12-20(21)18(2)22(25)23(27)24(15-16-26)17-19-10-6-5-7-11-19/h5-13,26H,3-4,14-17H2,1-2H3.
What are the key properties of N-benzyl-1-butyl-N-(2-hydroxyethyl)-3-methylindole-2-carboxamide?
N-benzyl-1-butyl-N-(2-hydroxyethyl)-3-methylindole-2-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-butyl-N-(2-hydroxyethyl)-3-methylindole-2-carboxamide is sourced from PubChem (CID 110498707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).