N-[(1,2-dimethylindol-5-yl)methyl]-2-ethylbutanamide

C17H24N2O — CID 3236543

IUPACN-[(1,2-dimethylindol-5-yl)methyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCc1ccc2c(c1)cc(C)n2C
InChIInChI=1S/C17H24N2O/c1-5-14(6-2)17(20)18-11-13-7-8-16-15(10-13)9-12(3)19(16)4/h7-10,14H,5-6,11H2,1-4H3,(H,18,20)
InChIKeyBMBUAGHYIDMJNF-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.54
Rot. Bonds5

About N-[(1,2-dimethylindol-5-yl)methyl]-2-ethylbutanamide

N-[(1,2-dimethylindol-5-yl)methyl]-2-ethylbutanamide (PubChem CID 3236543) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[(1,2-dimethylindol-5-yl)methyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[(1,2-dimethylindol-5-yl)methyl]-2-ethylbutanamide
PubChem CID3236543
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[(1,2-dimethylindol-5-yl)methyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCc1ccc2c(c1)cc(C)n2C
InChIInChI=1S/C17H24N2O/c1-5-14(6-2)17(20)18-11-13-7-8-16-15(10-13)9-12(3)19(16)4/h7-10,14H,5-6,11H2,1-4H3,(H,18,20)
InChIKeyBMBUAGHYIDMJNF-UHFFFAOYSA-N
XLogP3.54
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1,2-dimethylindol-5-yl)methyl]-2-ethylbutanamide 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

CID 68470
CID 68470
CID 70547
CID 70547
CID 4722579
CID 4722579
CID 122162
CID 122162
CID 216303
CID 216303
CID 91668531
CID 91668531
CID 88755
CID 88755
CID 249414
CID 249414
CID 10311044
CID 10311044
CID 3726592
CID 3726592
CID 6918831
CID 6918831
CID 10174581
CID 10174581

Frequently Asked Questions

What is the IUPAC name of N-[(1,2-dimethylindol-5-yl)methyl]-2-ethylbutanamide?
The IUPAC name of N-[(1,2-dimethylindol-5-yl)methyl]-2-ethylbutanamide (CID 3236543) is N-[(1,2-dimethylindol-5-yl)methyl]-2-ethylbutanamide.
What is the SMILES notation for N-[(1,2-dimethylindol-5-yl)methyl]-2-ethylbutanamide?
The canonical SMILES for N-[(1,2-dimethylindol-5-yl)methyl]-2-ethylbutanamide is CCC(CC)C(=O)NCc1ccc2c(c1)cc(C)n2C.
What is the InChIKey of N-[(1,2-dimethylindol-5-yl)methyl]-2-ethylbutanamide?
The InChIKey is BMBUAGHYIDMJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-5-14(6-2)17(20)18-11-13-7-8-16-15(10-13)9-12(3)19(16)4/h7-10,14H,5-6,11H2,1-4H3,(H,18,20).
What are the key properties of N-[(1,2-dimethylindol-5-yl)methyl]-2-ethylbutanamide?
N-[(1,2-dimethylindol-5-yl)methyl]-2-ethylbutanamide has a molecular weight of 272.39 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,2-dimethylindol-5-yl)methyl]-2-ethylbutanamide is sourced from PubChem (CID 3236543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).