N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-4-(methylamino)butanamide

C20H23N3O2 — CID 119761261

IUPACN-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C20H23N3O2/c1-21-13-4-7-19(24)22-17-10-8-16(9-11-17)20(25)23-14-12-15-5-2-3-6-18(15)23/h2-3,5-6,8-11,21H,4,7,12-14H2,1H3,(H,22,24)
InChIKeyWECWQACTNNQTOK-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.83
Rot. Bonds6

About N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-4-(methylamino)butanamide

N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-4-(methylamino)butanamide (PubChem CID 119761261) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-4-(methylamino)butanamide
PubChem CID119761261
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C20H23N3O2/c1-21-13-4-7-19(24)22-17-10-8-16(9-11-17)20(25)23-14-12-15-5-2-3-6-18(15)23/h2-3,5-6,8-11,21H,4,7,12-14H2,1H3,(H,22,24)
InChIKeyWECWQACTNNQTOK-UHFFFAOYSA-N
XLogP2.83
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]heptanamide
CID 119761257
2-tert-butylsulfanyl-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]acetamide
CID 60608468
N-(4-acetamidophenyl)-4-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109049557
ethyl N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]carbamate
CID 17463850
4-(methylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride
CID 119702385
4-(2,3-dihydroindole-1-carbonyl)-N-(4-fluorophenyl)benzamide
CID 109049539
2-(4-methylanilino)-N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]acetamide
CID 19608007
N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119761289
4-(methylamino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide
CID 119745800
(2S)-2-amino-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-3,3-dimethylbutanamide
CID 119761273
2-(2-chlorophenyl)-N-[4-(6,7-dihydrobenzo[d][1]benzazepine-5-carbonyl)phenyl]acetamide
CID 67625377
2-amino-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-3-methylpentanamide;hydrochloride
CID 119761284

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-4-(methylamino)butanamide?
The IUPAC name of N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-4-(methylamino)butanamide (CID 119761261) is N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-4-(methylamino)butanamide?
The canonical SMILES for N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-4-(methylamino)butanamide is CNCCCC(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-4-(methylamino)butanamide?
The InChIKey is WECWQACTNNQTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-21-13-4-7-19(24)22-17-10-8-16(9-11-17)20(25)23-14-12-15-5-2-3-6-18(15)23/h2-3,5-6,8-11,21H,4,7,12-14H2,1H3,(H,22,24).
What are the key properties of N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-4-(methylamino)butanamide?
N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-4-(methylamino)butanamide has a molecular weight of 337.42 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-4-(methylamino)butanamide is sourced from PubChem (CID 119761261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).