2-amino-1-(3-methyl-1-propan-2-ylindol-2-yl)ethanone

C14H18N2O — CID 83860125

IUPAC2-amino-1-(3-methyl-1-propan-2-ylindol-2-yl)ethanone
SMILESCc1c(C(=O)CN)n(C(C)C)c2ccccc12
InChIInChI=1S/C14H18N2O/c1-9(2)16-12-7-5-4-6-11(12)10(3)14(16)13(17)8-15/h4-7,9H,8,15H2,1-3H3
InChIKeyIOGVTCGTGZKXQC-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.67
Rot. Bonds3

About 2-amino-1-(3-methyl-1-propan-2-ylindol-2-yl)ethanone

2-amino-1-(3-methyl-1-propan-2-ylindol-2-yl)ethanone (PubChem CID 83860125) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-amino-1-(3-methyl-1-propan-2-ylindol-2-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(3-methyl-1-propan-2-ylindol-2-yl)ethanone
PubChem CID83860125
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-amino-1-(3-methyl-1-propan-2-ylindol-2-yl)ethanone
SMILESCc1c(C(=O)CN)n(C(C)C)c2ccccc12
InChIInChI=1S/C14H18N2O/c1-9(2)16-12-7-5-4-6-11(12)10(3)14(16)13(17)8-15/h4-7,9H,8,15H2,1-3H3
InChIKeyIOGVTCGTGZKXQC-UHFFFAOYSA-N
XLogP2.67
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methyl-1-propan-2-ylindol-2-yl)acetic acid
CID 83860122
N,3-dimethyl-4-oxo-1-propan-2-ylquinoline-2-carboxamide
CID 176548686
1,3-dimethyl-N-propan-2-ylindole-2-carboxamide
CID 113204328
3-iodo-2-methyl-1-propan-2-ylquinolin-4-one
CID 176548683
3-(4-fluorophenyl)-1-propan-2-ylindole-2-carboxamide
CID 70002976
ethane;ethyl 1,3-dimethylindole-2-carboxylate
CID 90852450
3-[(4-hydroxypiperidin-1-yl)methyl]-1-propan-2-ylindole-2-carboxylic acid
CID 68966812
3-methyl-3-(9-propan-2-ylcarbazol-3-yl)butanoic acid
CID 117494202
2-[3-(2-aminoacetyl)-2-methylindol-1-yl]acetic acid
CID 170858001
propyl 2-carbazol-9-ylpropanoate
CID 20752206
3-fluoro-2-methyl-1-propan-2-ylindole
CID 150270032
N-(4-ethylphenyl)-1,3-dimethylindole-2-carboxamide
CID 113204429

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-methyl-1-propan-2-ylindol-2-yl)ethanone?
The IUPAC name of 2-amino-1-(3-methyl-1-propan-2-ylindol-2-yl)ethanone (CID 83860125) is 2-amino-1-(3-methyl-1-propan-2-ylindol-2-yl)ethanone.
What is the SMILES notation for 2-amino-1-(3-methyl-1-propan-2-ylindol-2-yl)ethanone?
The canonical SMILES for 2-amino-1-(3-methyl-1-propan-2-ylindol-2-yl)ethanone is Cc1c(C(=O)CN)n(C(C)C)c2ccccc12.
What is the InChIKey of 2-amino-1-(3-methyl-1-propan-2-ylindol-2-yl)ethanone?
The InChIKey is IOGVTCGTGZKXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-9(2)16-12-7-5-4-6-11(12)10(3)14(16)13(17)8-15/h4-7,9H,8,15H2,1-3H3.
What are the key properties of 2-amino-1-(3-methyl-1-propan-2-ylindol-2-yl)ethanone?
2-amino-1-(3-methyl-1-propan-2-ylindol-2-yl)ethanone has a molecular weight of 230.31 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-methyl-1-propan-2-ylindol-2-yl)ethanone is sourced from PubChem (CID 83860125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).