4-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-methoxybutanamide

C20H23N3O3 — CID 120590924

IUPAC4-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C20H23N3O3/c1-26-17(13-21)12-19(24)22-16-7-4-6-15(11-16)20(25)23-10-9-14-5-2-3-8-18(14)23/h2-8,11,17H,9-10,12-13,21H2,1H3,(H,22,24)
InChIKeyWDVJRSOYTCABNY-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.19
Rot. Bonds6

About 4-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-methoxybutanamide

4-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-methoxybutanamide (PubChem CID 120590924) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 4-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-methoxybutanamide
PubChem CID120590924
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name4-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C20H23N3O3/c1-26-17(13-21)12-19(24)22-16-7-4-6-15(11-16)20(25)23-10-9-14-5-2-3-8-18(14)23/h2-8,11,17H,9-10,12-13,21H2,1H3,(H,22,24)
InChIKeyWDVJRSOYTCABNY-UHFFFAOYSA-N
XLogP2.19
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]acetamide
CID 26290520
N-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]propanamide
CID 17309643
(2S)-2-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-4-methylsulfanylbutanamide
CID 119310528
4-(aminomethyl)-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]oxane-4-carboxamide
CID 120929329
1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-(2-hydroxyethyl)urea
CID 60614369
N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]methanesulfonamide
CID 8001369
N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-4-methoxypiperidine-4-carboxamide
CID 119761237
1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 60614335
2-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-2-(oxan-4-yl)acetamide
CID 120790886
N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119938232
3-(2,3-dihydroindole-1-carbonyl)benzoic acid
CID 43452867
2,3-dihydroindol-1-yl-[3-[(3-propan-2-ylphenyl)methylamino]phenyl]methanone
CID 154866237

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-methoxybutanamide (CID 120590924) is 4-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-methoxybutanamide is COC(CN)CC(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1.
What is the InChIKey of 4-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-methoxybutanamide?
The InChIKey is WDVJRSOYTCABNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-26-17(13-21)12-19(24)22-16-7-4-6-15(11-16)20(25)23-10-9-14-5-2-3-8-18(14)23/h2-8,11,17H,9-10,12-13,21H2,1H3,(H,22,24).
What are the key properties of 4-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-methoxybutanamide?
4-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-methoxybutanamide has a molecular weight of 353.42 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-methoxybutanamide is sourced from PubChem (CID 120590924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).