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

C21H25N3O2 — CID 119761273

IUPAC(2S)-2-amino-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@H](N)C(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C21H25N3O2/c1-21(2,3)18(22)19(25)23-16-10-8-15(9-11-16)20(26)24-13-12-14-6-4-5-7-17(14)24/h4-11,18H,12-13,22H2,1-3H3,(H,23,25)/t18-/m1/s1
InChIKeyNXRJOWMOZPMWRX-GOSISDBHSA-N
MW351.45 g/mol
LogP3.20
Rot. Bonds3

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

(2S)-2-amino-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-3,3-dimethylbutanamide (PubChem CID 119761273) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-3,3-dimethylbutanamide
PubChem CID119761273
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name(2S)-2-amino-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@H](N)C(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C21H25N3O2/c1-21(2,3)18(22)19(25)23-16-10-8-15(9-11-16)20(26)24-13-12-14-6-4-5-7-17(14)24/h4-11,18H,12-13,22H2,1-3H3,(H,23,25)/t18-/m1/s1
InChIKeyNXRJOWMOZPMWRX-GOSISDBHSA-N
XLogP3.20
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-3-methylpentanamide;hydrochloride
CID 119761284
N-(4-acetamidophenyl)-4-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109049557
2-tert-butylsulfanyl-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]acetamide
CID 60608468
ethyl N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]carbamate
CID 17463850
4-(2,3-dihydroindole-1-carbonyl)-N-(4-fluorophenyl)benzamide
CID 109049539
7-amino-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]heptanamide
CID 119761257
N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-4-(methylamino)butanamide
CID 119761261
N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]furan-2-carboxamide
CID 34818899
(4-aminophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 2984117
2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone
CID 669367
N-(4-acetamidophenyl)-3-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109057111
N-(3,4-difluorophenyl)-4-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109049570

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-3,3-dimethylbutanamide (CID 119761273) is (2S)-2-amino-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-3,3-dimethylbutanamide is CC(C)(C)[C@H](N)C(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of (2S)-2-amino-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-3,3-dimethylbutanamide?
The InChIKey is NXRJOWMOZPMWRX-GOSISDBHSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-21(2,3)18(22)19(25)23-16-10-8-15(9-11-16)20(26)24-13-12-14-6-4-5-7-17(14)24/h4-11,18H,12-13,22H2,1-3H3,(H,23,25)/t18-/m1/s1.
What are the key properties of (2S)-2-amino-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-3,3-dimethylbutanamide?
(2S)-2-amino-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-3,3-dimethylbutanamide has a molecular weight of 351.45 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 119761273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).