2-(1,5-dimethyl-2-pentylindol-3-yl)acetamide

C17H24N2O — CID 175185429

IUPAC2-(1,5-dimethyl-2-pentylindol-3-yl)acetamide
SMILESCCCCCc1c(CC(N)=O)c2cc(C)ccc2n1C
InChIInChI=1S/C17H24N2O/c1-4-5-6-7-15-14(11-17(18)20)13-10-12(2)8-9-16(13)19(15)3/h8-10H,4-7,11H2,1-3H3,(H2,18,20)
InChIKeyXSIHFZHPNYCSCU-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.25
Rot. Bonds6

About 2-(1,5-dimethyl-2-pentylindol-3-yl)acetamide

2-(1,5-dimethyl-2-pentylindol-3-yl)acetamide (PubChem CID 175185429) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-(1,5-dimethyl-2-pentylindol-3-yl)acetamide.

Molecular Properties

Compound Name2-(1,5-dimethyl-2-pentylindol-3-yl)acetamide
PubChem CID175185429
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-(1,5-dimethyl-2-pentylindol-3-yl)acetamide
SMILESCCCCCc1c(CC(N)=O)c2cc(C)ccc2n1C
InChIInChI=1S/C17H24N2O/c1-4-5-6-7-15-14(11-17(18)20)13-10-12(2)8-9-16(13)19(15)3/h8-10H,4-7,11H2,1-3H3,(H2,18,20)
InChIKeyXSIHFZHPNYCSCU-UHFFFAOYSA-N
XLogP3.25
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1,5-dimethyl-2-pentylindol-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-bromo-1,2-dimethylindol-3-yl)acetamide
CID 82502196
2-(2-butyl-3-ethyl-5-methylindol-1-yl)-N-ethylacetamide
CID 143839171
3-hexyl-1,2-dimethylindol-5-amine
CID 19016534
methyl 4-(1,2,5-trimethylindol-3-yl)butanoate
CID 170946702
1,3-dimethyl-2-tridecylindole
CID 122371242
2-(1,2-dimethylindol-3-yl)acetamide
CID 67627690
2-butyl-5-hydroxy-1-methylindole-3-carboxylic acid
CID 125426095
2-(1-benzyl-5-methoxy-2-propylindol-3-yl)acetamide
CID 10688272
5-methoxy-1,2-dimethyl-3-pentylindole
CID 129194157
1-(3-hexyl-1,2-dimethylindol-5-yl)-1-pyridin-3-ylurea
CID 174374661
N-ethyl-2-(1,2,5-trimethylindol-3-yl)ethanamine
CID 82495215
2-amino-1-(1,2,5-trimethylindol-3-yl)ethanone
CID 82661041

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethyl-2-pentylindol-3-yl)acetamide?
The IUPAC name of 2-(1,5-dimethyl-2-pentylindol-3-yl)acetamide (CID 175185429) is 2-(1,5-dimethyl-2-pentylindol-3-yl)acetamide.
What is the SMILES notation for 2-(1,5-dimethyl-2-pentylindol-3-yl)acetamide?
The canonical SMILES for 2-(1,5-dimethyl-2-pentylindol-3-yl)acetamide is CCCCCc1c(CC(N)=O)c2cc(C)ccc2n1C.
What is the InChIKey of 2-(1,5-dimethyl-2-pentylindol-3-yl)acetamide?
The InChIKey is XSIHFZHPNYCSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-4-5-6-7-15-14(11-17(18)20)13-10-12(2)8-9-16(13)19(15)3/h8-10H,4-7,11H2,1-3H3,(H2,18,20).
What are the key properties of 2-(1,5-dimethyl-2-pentylindol-3-yl)acetamide?
2-(1,5-dimethyl-2-pentylindol-3-yl)acetamide has a molecular weight of 272.39 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethyl-2-pentylindol-3-yl)acetamide is sourced from PubChem (CID 175185429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).