2-ethyl-N-(1-methyl-2,3-dihydroindol-5-yl)butanamide

C15H22N2O — CID 110729318

IUPAC2-ethyl-N-(1-methyl-2,3-dihydroindol-5-yl)butanamide
SMILESCCC(CC)C(=O)Nc1ccc2c(c1)CCN2C
InChIInChI=1S/C15H22N2O/c1-4-11(5-2)15(18)16-13-6-7-14-12(10-13)8-9-17(14)3/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,16,18)
InChIKeyWOICSRSTLPCJBN-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.05
Rot. Bonds4

About 2-ethyl-N-(1-methyl-2,3-dihydroindol-5-yl)butanamide

2-ethyl-N-(1-methyl-2,3-dihydroindol-5-yl)butanamide (PubChem CID 110729318) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-ethyl-N-(1-methyl-2,3-dihydroindol-5-yl)butanamide.

Molecular Properties

Compound Name2-ethyl-N-(1-methyl-2,3-dihydroindol-5-yl)butanamide
PubChem CID110729318
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-ethyl-N-(1-methyl-2,3-dihydroindol-5-yl)butanamide
SMILESCCC(CC)C(=O)Nc1ccc2c(c1)CCN2C
InChIInChI=1S/C15H22N2O/c1-4-11(5-2)15(18)16-13-6-7-14-12(10-13)8-9-17(14)3/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,16,18)
InChIKeyWOICSRSTLPCJBN-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-4-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)pentanamide
CID 110837782
2-ethyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butanamide
CID 110481403
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-ethylbutanamide
CID 16942824
2-cyano-N-(1-methyl-2,3-dihydroindol-5-yl)acetamide
CID 168523549
2-ethyl-N-[7-(2-ethylbutanoylamino)-9H-fluoren-2-yl]butanamide
CID 9320374
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methylbutanamide
CID 24684877
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-ethylbutanamide
CID 16926863
N-ethyl-1-methyl-2,3-dihydroindol-5-amine
CID 82539913
N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-ethylbutanamide
CID 112986176
3-(1-methyl-2,3-dihydroindole-5-carbonyl)pentanenitrile
CID 62094944
2-(2-methoxyphenyl)-N-(1-methyl-2,3-dihydroindol-5-yl)acetamide
CID 110729357
N-(2,3-dihydro-1H-inden-5-yl)-2-(hydroxymethyl)butanamide
CID 115186317

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(1-methyl-2,3-dihydroindol-5-yl)butanamide?
The IUPAC name of 2-ethyl-N-(1-methyl-2,3-dihydroindol-5-yl)butanamide (CID 110729318) is 2-ethyl-N-(1-methyl-2,3-dihydroindol-5-yl)butanamide.
What is the SMILES notation for 2-ethyl-N-(1-methyl-2,3-dihydroindol-5-yl)butanamide?
The canonical SMILES for 2-ethyl-N-(1-methyl-2,3-dihydroindol-5-yl)butanamide is CCC(CC)C(=O)Nc1ccc2c(c1)CCN2C.
What is the InChIKey of 2-ethyl-N-(1-methyl-2,3-dihydroindol-5-yl)butanamide?
The InChIKey is WOICSRSTLPCJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-11(5-2)15(18)16-13-6-7-14-12(10-13)8-9-17(14)3/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,16,18).
What are the key properties of 2-ethyl-N-(1-methyl-2,3-dihydroindol-5-yl)butanamide?
2-ethyl-N-(1-methyl-2,3-dihydroindol-5-yl)butanamide has a molecular weight of 246.35 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(1-methyl-2,3-dihydroindol-5-yl)butanamide is sourced from PubChem (CID 110729318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).