N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-ethylbutanamide

C20H24N2O — CID 112986176

IUPACN-[4-(2,3-dihydroindol-1-yl)phenyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1ccc(N2CCc3ccccc32)cc1
InChIInChI=1S/C20H24N2O/c1-3-15(4-2)20(23)21-17-9-11-18(12-10-17)22-14-13-16-7-5-6-8-19(16)22/h5-12,15H,3-4,13-14H2,1-2H3,(H,21,23)
InChIKeyXHGIKNVPMOVDNE-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.76
Rot. Bonds5

About N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-ethylbutanamide

N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-ethylbutanamide (PubChem CID 112986176) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydroindol-1-yl)phenyl]-2-ethylbutanamide
PubChem CID112986176
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC NameN-[4-(2,3-dihydroindol-1-yl)phenyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1ccc(N2CCc3ccccc32)cc1
InChIInChI=1S/C20H24N2O/c1-3-15(4-2)20(23)21-17-9-11-18(12-10-17)22-14-13-16-7-5-6-8-19(16)22/h5-12,15H,3-4,13-14H2,1-2H3,(H,21,23)
InChIKeyXHGIKNVPMOVDNE-UHFFFAOYSA-N
XLogP4.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2,3-dihydroindol-1-yl)phenyl]cyclobutanecarboxamide
CID 112986213
N-[4-(2,3-dihydroindol-1-yl)phenyl]-1-methylpyrrole-2-carboxamide
CID 55882184
2-ethyl-N-(1-methyl-2,3-dihydroindol-5-yl)butanamide
CID 110729318
N-[4-(2,3-dihydroindol-1-yl)phenyl]-3-fluorobenzamide
CID 112986182
N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-(4-sulfamoylphenyl)acetamide
CID 56553200
N-[1-[4-(2,3-dihydroindol-1-yl)anilino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 55963868
4-(3,4-diethoxyphenyl)-N-[4-(2,3-dihydroindol-1-yl)phenyl]-4-oxobutanamide
CID 154872547
2-(aminomethyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 65225875
N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-(1H-indol-3-yl)acetamide
CID 112986190
N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2-ethylbutanamide
CID 110348089
1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-[4-(2,3-dihydroindol-1-yl)phenyl]urea
CID 55837106
N-[4-(2,3-dihydroindol-1-yl)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55880912

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-ethylbutanamide?
The IUPAC name of N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-ethylbutanamide (CID 112986176) is N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-ethylbutanamide.
What is the SMILES notation for N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-ethylbutanamide?
The canonical SMILES for N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-ethylbutanamide is CCC(CC)C(=O)Nc1ccc(N2CCc3ccccc32)cc1.
What is the InChIKey of N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-ethylbutanamide?
The InChIKey is XHGIKNVPMOVDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-3-15(4-2)20(23)21-17-9-11-18(12-10-17)22-14-13-16-7-5-6-8-19(16)22/h5-12,15H,3-4,13-14H2,1-2H3,(H,21,23).
What are the key properties of N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-ethylbutanamide?
N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-ethylbutanamide has a molecular weight of 308.43 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-ethylbutanamide is sourced from PubChem (CID 112986176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).