[(3-methyl-1H-indole-2-carbonyl)amino] 2,2-dimethylpropanoate

C15H18N2O3 — CID 141455313

IUPAC[(3-methyl-1H-indole-2-carbonyl)amino] 2,2-dimethylpropanoate
SMILESCc1c(C(=O)NOC(=O)C(C)(C)C)[nH]c2ccccc12
InChIInChI=1S/C15H18N2O3/c1-9-10-7-5-6-8-11(10)16-12(9)13(18)17-20-14(19)15(2,3)4/h5-8,16H,1-4H3,(H,17,18)
InChIKeyNLNUGQLFPBKRBB-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.71
Rot. Bonds1

About [(3-methyl-1H-indole-2-carbonyl)amino] 2,2-dimethylpropanoate

[(3-methyl-1H-indole-2-carbonyl)amino] 2,2-dimethylpropanoate (PubChem CID 141455313) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is [(3-methyl-1H-indole-2-carbonyl)amino] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(3-methyl-1H-indole-2-carbonyl)amino] 2,2-dimethylpropanoate
PubChem CID141455313
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name[(3-methyl-1H-indole-2-carbonyl)amino] 2,2-dimethylpropanoate
SMILESCc1c(C(=O)NOC(=O)C(C)(C)C)[nH]c2ccccc12
InChIInChI=1S/C15H18N2O3/c1-9-10-7-5-6-8-11(10)16-12(9)13(18)17-20-14(19)15(2,3)4/h5-8,16H,1-4H3,(H,17,18)
InChIKeyNLNUGQLFPBKRBB-UHFFFAOYSA-N
XLogP2.71
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204283
2-(3-methyl-1H-indol-2-yl)-2-oxoacetic acid
CID 96619133
diethyl 2-methyl-2-(3-methyl-1H-indol-2-yl)propanedioate
CID 177452583
3-methyl-N-(3-methylphenyl)-1H-indole-2-carboxamide
CID 113204253
N-(2,4-dimethylphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204258
N-(4-ethylphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204265
N-[(4-bromophenyl)methylideneamino]-3-methyl-1H-indole-2-carboxamide
CID 70129332
3-methyl-N-[(3-methylphenyl)methyl]-1H-indole-2-carboxamide
CID 113204204
N-(3-acetylphenyl)-3-methyl-1H-indole-2-carboxamide
CID 110861099
N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-1H-indole-2-carboxamide
CID 110851797
2-diazo-1-(3-methyl-1H-indol-2-yl)ethanone
CID 93341883
[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 53013280

Frequently Asked Questions

What is the IUPAC name of [(3-methyl-1H-indole-2-carbonyl)amino] 2,2-dimethylpropanoate?
The IUPAC name of [(3-methyl-1H-indole-2-carbonyl)amino] 2,2-dimethylpropanoate (CID 141455313) is [(3-methyl-1H-indole-2-carbonyl)amino] 2,2-dimethylpropanoate.
What is the SMILES notation for [(3-methyl-1H-indole-2-carbonyl)amino] 2,2-dimethylpropanoate?
The canonical SMILES for [(3-methyl-1H-indole-2-carbonyl)amino] 2,2-dimethylpropanoate is Cc1c(C(=O)NOC(=O)C(C)(C)C)[nH]c2ccccc12.
What is the InChIKey of [(3-methyl-1H-indole-2-carbonyl)amino] 2,2-dimethylpropanoate?
The InChIKey is NLNUGQLFPBKRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-9-10-7-5-6-8-11(10)16-12(9)13(18)17-20-14(19)15(2,3)4/h5-8,16H,1-4H3,(H,17,18).
What are the key properties of [(3-methyl-1H-indole-2-carbonyl)amino] 2,2-dimethylpropanoate?
[(3-methyl-1H-indole-2-carbonyl)amino] 2,2-dimethylpropanoate has a molecular weight of 274.32 g/mol, XLogP of 2.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-methyl-1H-indole-2-carbonyl)amino] 2,2-dimethylpropanoate is sourced from PubChem (CID 141455313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).