N-(tert-butylcarbamoyl)-2-[(3S)-3-methyl-2,3-dihydroindol-1-yl]acetamide

C16H23N3O2 — CID 95631124

IUPACN-(tert-butylcarbamoyl)-2-[(3S)-3-methyl-2,3-dihydroindol-1-yl]acetamide
SMILESC[C@@H]1CN(CC(=O)NC(=O)NC(C)(C)C)c2ccccc21
InChIInChI=1S/C16H23N3O2/c1-11-9-19(13-8-6-5-7-12(11)13)10-14(20)17-15(21)18-16(2,3)4/h5-8,11H,9-10H2,1-4H3,(H2,17,18,20,21)/t11-/m1/s1
InChIKeyHUJFIJOZWPAIPD-LLVKDONJSA-N
MW289.38 g/mol
LogP2.23
Rot. Bonds2

About N-(tert-butylcarbamoyl)-2-[(3S)-3-methyl-2,3-dihydroindol-1-yl]acetamide

N-(tert-butylcarbamoyl)-2-[(3S)-3-methyl-2,3-dihydroindol-1-yl]acetamide (PubChem CID 95631124) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-[(3S)-3-methyl-2,3-dihydroindol-1-yl]acetamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-[(3S)-3-methyl-2,3-dihydroindol-1-yl]acetamide
PubChem CID95631124
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-(tert-butylcarbamoyl)-2-[(3S)-3-methyl-2,3-dihydroindol-1-yl]acetamide
SMILESC[C@@H]1CN(CC(=O)NC(=O)NC(C)(C)C)c2ccccc21
InChIInChI=1S/C16H23N3O2/c1-11-9-19(13-8-6-5-7-12(11)13)10-14(20)17-15(21)18-16(2,3)4/h5-8,11H,9-10H2,1-4H3,(H2,17,18,20,21)/t11-/m1/s1
InChIKeyHUJFIJOZWPAIPD-LLVKDONJSA-N
XLogP2.23
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-[(3S)-3-methyl-2,3-dihydroindol-1-yl]acetamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-[(3S)-3-methyl-2,3-dihydroindol-1-yl]acetamide (CID 95631124) is N-(tert-butylcarbamoyl)-2-[(3S)-3-methyl-2,3-dihydroindol-1-yl]acetamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-[(3S)-3-methyl-2,3-dihydroindol-1-yl]acetamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-[(3S)-3-methyl-2,3-dihydroindol-1-yl]acetamide is C[C@@H]1CN(CC(=O)NC(=O)NC(C)(C)C)c2ccccc21.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-[(3S)-3-methyl-2,3-dihydroindol-1-yl]acetamide?
The InChIKey is HUJFIJOZWPAIPD-LLVKDONJSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11-9-19(13-8-6-5-7-12(11)13)10-14(20)17-15(21)18-16(2,3)4/h5-8,11H,9-10H2,1-4H3,(H2,17,18,20,21)/t11-/m1/s1.
What are the key properties of N-(tert-butylcarbamoyl)-2-[(3S)-3-methyl-2,3-dihydroindol-1-yl]acetamide?
N-(tert-butylcarbamoyl)-2-[(3S)-3-methyl-2,3-dihydroindol-1-yl]acetamide has a molecular weight of 289.38 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-[(3S)-3-methyl-2,3-dihydroindol-1-yl]acetamide is sourced from PubChem (CID 95631124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).