N-butyl-2-methyl-2-(2-methyl-1H-indol-3-yl)propanamide

C17H24N2O — CID 113211513

IUPACN-butyl-2-methyl-2-(2-methyl-1H-indol-3-yl)propanamide
SMILESCCCCNC(=O)C(C)(C)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C17H24N2O/c1-5-6-11-18-16(20)17(3,4)15-12(2)19-14-10-8-7-9-13(14)15/h7-10,19H,5-6,11H2,1-4H3,(H,18,20)
InChIKeyPJMOHSTZDGQMKD-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.67
Rot. Bonds5

About N-butyl-2-methyl-2-(2-methyl-1H-indol-3-yl)propanamide

N-butyl-2-methyl-2-(2-methyl-1H-indol-3-yl)propanamide (PubChem CID 113211513) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-butyl-2-methyl-2-(2-methyl-1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-butyl-2-methyl-2-(2-methyl-1H-indol-3-yl)propanamide
PubChem CID113211513
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-butyl-2-methyl-2-(2-methyl-1H-indol-3-yl)propanamide
SMILESCCCCNC(=O)C(C)(C)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C17H24N2O/c1-5-6-11-18-16(20)17(3,4)15-12(2)19-14-10-8-7-9-13(14)15/h7-10,19H,5-6,11H2,1-4H3,(H,18,20)
InChIKeyPJMOHSTZDGQMKD-UHFFFAOYSA-N
XLogP3.67
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-(2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)propanamide
CID 113211551
2-methyl-2-(2-methyl-1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113211632
3-amino-3-(2-methyl-1H-indol-3-yl)butanoic acid
CID 82289641
1-[(2-methyl-1H-indol-3-yl)methyl]-3-propylurea
CID 110775099
N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]-2-phenylacetamide
CID 113085684
1-(2-methyl-1H-indol-3-yl)pentan-1-one
CID 4682217
4-bromo-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzamide
CID 113085673
N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]-3-phenylpropanamide
CID 113085688
1-(2-methyl-1H-indol-3-yl)nonan-1-one
CID 65449117
N-(2-methyl-1H-indol-3-yl)octanamide
CID 146096464
2-(3-fluorophenyl)-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]acetamide
CID 113085706
2-(4-chlorophenyl)-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]acetamide
CID 113085686

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methyl-2-(2-methyl-1H-indol-3-yl)propanamide?
The IUPAC name of N-butyl-2-methyl-2-(2-methyl-1H-indol-3-yl)propanamide (CID 113211513) is N-butyl-2-methyl-2-(2-methyl-1H-indol-3-yl)propanamide.
What is the SMILES notation for N-butyl-2-methyl-2-(2-methyl-1H-indol-3-yl)propanamide?
The canonical SMILES for N-butyl-2-methyl-2-(2-methyl-1H-indol-3-yl)propanamide is CCCCNC(=O)C(C)(C)c1c(C)[nH]c2ccccc12.
What is the InChIKey of N-butyl-2-methyl-2-(2-methyl-1H-indol-3-yl)propanamide?
The InChIKey is PJMOHSTZDGQMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-5-6-11-18-16(20)17(3,4)15-12(2)19-14-10-8-7-9-13(14)15/h7-10,19H,5-6,11H2,1-4H3,(H,18,20).
What are the key properties of N-butyl-2-methyl-2-(2-methyl-1H-indol-3-yl)propanamide?
N-butyl-2-methyl-2-(2-methyl-1H-indol-3-yl)propanamide has a molecular weight of 272.39 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methyl-2-(2-methyl-1H-indol-3-yl)propanamide is sourced from PubChem (CID 113211513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).