2-(dimethylamino)-2-(2-methyl-1H-indol-3-yl)acetamide

C13H17N3O — CID 116914751

IUPAC2-(dimethylamino)-2-(2-methyl-1H-indol-3-yl)acetamide
SMILESCc1[nH]c2ccccc2c1C(C(N)=O)N(C)C
InChIInChI=1S/C13H17N3O/c1-8-11(12(13(14)17)16(2)3)9-6-4-5-7-10(9)15-8/h4-7,12,15H,1-3H3,(H2,14,17)
InChIKeyYXVVQMBZHBQIMO-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.56
Rot. Bonds3

About 2-(dimethylamino)-2-(2-methyl-1H-indol-3-yl)acetamide

2-(dimethylamino)-2-(2-methyl-1H-indol-3-yl)acetamide (PubChem CID 116914751) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(2-methyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-2-(2-methyl-1H-indol-3-yl)acetamide
PubChem CID116914751
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-(dimethylamino)-2-(2-methyl-1H-indol-3-yl)acetamide
SMILESCc1[nH]c2ccccc2c1C(C(N)=O)N(C)C
InChIInChI=1S/C13H17N3O/c1-8-11(12(13(14)17)16(2)3)9-6-4-5-7-10(9)15-8/h4-7,12,15H,1-3H3,(H2,14,17)
InChIKeyYXVVQMBZHBQIMO-UHFFFAOYSA-N
XLogP1.56
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-(2-methyl-1H-indol-3-yl)acetamide
CID 116850760
1-N,1-N-dimethyl-1-(2-methyl-1H-indol-3-yl)propane-1,2-diamine
CID 82289370
dimethyl 2-(2-methyl-1H-indol-3-yl)propanedioate
CID 10967266
4-[dimethylamino-(2-methyl-1H-indol-3-yl)methyl]benzoic acid
CID 110453404
N',N'-dimethyl-2-(2-methyl-1H-indol-3-yl)propanehydrazide
CID 116848101
methyl (2S)-2-amino-2-(2-methyl-1H-indol-3-yl)acetate;hydrochloride
CID 171206867
3-(dimethylamino)-3-(2-methyl-1H-indol-3-yl)propan-1-ol
CID 116907669
2-methoxy-2-(2-methyl-1H-indol-3-yl)acetic acid
CID 70231951
1-amino-1-(2-methyl-1H-indol-3-yl)propan-2-ol
CID 116859564
4-(2-methyl-1H-indol-3-yl)octan-2-one
CID 102114646
(1S)-2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)propan-1-amine
CID 131384165
(1S)-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine
CID 131198811

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(2-methyl-1H-indol-3-yl)acetamide?
The IUPAC name of 2-(dimethylamino)-2-(2-methyl-1H-indol-3-yl)acetamide (CID 116914751) is 2-(dimethylamino)-2-(2-methyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for 2-(dimethylamino)-2-(2-methyl-1H-indol-3-yl)acetamide?
The canonical SMILES for 2-(dimethylamino)-2-(2-methyl-1H-indol-3-yl)acetamide is Cc1[nH]c2ccccc2c1C(C(N)=O)N(C)C.
What is the InChIKey of 2-(dimethylamino)-2-(2-methyl-1H-indol-3-yl)acetamide?
The InChIKey is YXVVQMBZHBQIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-8-11(12(13(14)17)16(2)3)9-6-4-5-7-10(9)15-8/h4-7,12,15H,1-3H3,(H2,14,17).
What are the key properties of 2-(dimethylamino)-2-(2-methyl-1H-indol-3-yl)acetamide?
2-(dimethylamino)-2-(2-methyl-1H-indol-3-yl)acetamide has a molecular weight of 231.30 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(2-methyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 116914751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).