2-(1-methyl-2,3-dihydroindol-5-yl)-2-(propan-2-ylamino)acetamide

C14H21N3O — CID 62095835

IUPAC2-(1-methyl-2,3-dihydroindol-5-yl)-2-(propan-2-ylamino)acetamide
SMILESCC(C)NC(C(N)=O)c1ccc2c(c1)CCN2C
InChIInChI=1S/C14H21N3O/c1-9(2)16-13(14(15)18)11-4-5-12-10(8-11)6-7-17(12)3/h4-5,8-9,13,16H,6-7H2,1-3H3,(H2,15,18)
InChIKeyXCNMGNTZAKLDRF-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.20
Rot. Bonds4

About 2-(1-methyl-2,3-dihydroindol-5-yl)-2-(propan-2-ylamino)acetamide

2-(1-methyl-2,3-dihydroindol-5-yl)-2-(propan-2-ylamino)acetamide (PubChem CID 62095835) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(1-methyl-2,3-dihydroindol-5-yl)-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound Name2-(1-methyl-2,3-dihydroindol-5-yl)-2-(propan-2-ylamino)acetamide
PubChem CID62095835
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-(1-methyl-2,3-dihydroindol-5-yl)-2-(propan-2-ylamino)acetamide
SMILESCC(C)NC(C(N)=O)c1ccc2c(c1)CCN2C
InChIInChI=1S/C14H21N3O/c1-9(2)16-13(14(15)18)11-4-5-12-10(8-11)6-7-17(12)3/h4-5,8-9,13,16H,6-7H2,1-3H3,(H2,15,18)
InChIKeyXCNMGNTZAKLDRF-UHFFFAOYSA-N
XLogP1.20
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol
CID 79138006
3-hydroxy-2-methyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanenitrile
CID 79132691
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylpropanamide
CID 90582111
cyclopentyl-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 63900130
propan-2-yl 1-methyl-2,3-dihydroindole-5-carboxylate
CID 133062973
3-amino-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol
CID 79138292
N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
CID 62095660
2-(1-propyl-2,3-dihydroindol-5-yl)propanediamide
CID 22711549
1-(1-methyl-2,3-dihydroindol-5-yl)-2-propan-2-yloxyethanol
CID 79567530
3,5-dimethoxy-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 40890098
N'-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-(2-methylpropyl)oxamide
CID 30576488
N-ethyl-N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 30576915

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2,3-dihydroindol-5-yl)-2-(propan-2-ylamino)acetamide?
The IUPAC name of 2-(1-methyl-2,3-dihydroindol-5-yl)-2-(propan-2-ylamino)acetamide (CID 62095835) is 2-(1-methyl-2,3-dihydroindol-5-yl)-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for 2-(1-methyl-2,3-dihydroindol-5-yl)-2-(propan-2-ylamino)acetamide?
The canonical SMILES for 2-(1-methyl-2,3-dihydroindol-5-yl)-2-(propan-2-ylamino)acetamide is CC(C)NC(C(N)=O)c1ccc2c(c1)CCN2C.
What is the InChIKey of 2-(1-methyl-2,3-dihydroindol-5-yl)-2-(propan-2-ylamino)acetamide?
The InChIKey is XCNMGNTZAKLDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-9(2)16-13(14(15)18)11-4-5-12-10(8-11)6-7-17(12)3/h4-5,8-9,13,16H,6-7H2,1-3H3,(H2,15,18).
What are the key properties of 2-(1-methyl-2,3-dihydroindol-5-yl)-2-(propan-2-ylamino)acetamide?
2-(1-methyl-2,3-dihydroindol-5-yl)-2-(propan-2-ylamino)acetamide has a molecular weight of 247.34 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2,3-dihydroindol-5-yl)-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 62095835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).