N-cyclopropyl-2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetamide

C18H22N2O2 — CID 4028183

IUPACN-cyclopropyl-2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetamide
SMILESCC(C)(C)C(=O)c1cn(CC(=O)NC2CC2)c2ccccc12
InChIInChI=1S/C18H22N2O2/c1-18(2,3)17(22)14-10-20(11-16(21)19-12-8-9-12)15-7-5-4-6-13(14)15/h4-7,10,12H,8-9,11H2,1-3H3,(H,19,21)
InChIKeyCOEYEVXIWZVALV-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.15
Rot. Bonds4

About N-cyclopropyl-2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetamide

N-cyclopropyl-2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetamide (PubChem CID 4028183) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-cyclopropyl-2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetamide
PubChem CID4028183
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-cyclopropyl-2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetamide
SMILESCC(C)(C)C(=O)c1cn(CC(=O)NC2CC2)c2ccccc12
InChIInChI=1S/C18H22N2O2/c1-18(2,3)17(22)14-10-20(11-16(21)19-12-8-9-12)15-7-5-4-6-13(14)15/h4-7,10,12H,8-9,11H2,1-3H3,(H,19,21)
InChIKeyCOEYEVXIWZVALV-UHFFFAOYSA-N
XLogP3.15
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(cyclohexanecarbonyl)indol-1-yl]-N-cyclopropylacetamide
CID 2226331
methyl 1-[2-(cycloheptylamino)-2-oxoethyl]indole-3-carboxylate
CID 848129
2-(3-benzoylindol-1-yl)-N-cyclohexylacetamide
CID 2202973
methyl 1-[2-(cyclohexylamino)-2-oxoethyl]indole-3-carboxylate
CID 645611
methyl 2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetate
CID 2973654
N-cyclopropyl-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
CID 2974463
2,2-dimethyl-1-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]propan-1-one
CID 1095445
N-(2,5-dimethylphenyl)-2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetamide
CID 3525622
N-tert-butyl-2-[3-(cyclohexanecarbonyl)indol-1-yl]acetamide
CID 955482
N-cycloheptyl-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30559488
methyl 1-[2-[4-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]indole-3-carboxylate
CID 46553810
2-(3-acetylindol-1-yl)-N-tert-butylacetamide
CID 972491

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetamide (CID 4028183) is N-cyclopropyl-2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetamide is CC(C)(C)C(=O)c1cn(CC(=O)NC2CC2)c2ccccc12.
What is the InChIKey of N-cyclopropyl-2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetamide?
The InChIKey is COEYEVXIWZVALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-18(2,3)17(22)14-10-20(11-16(21)19-12-8-9-12)15-7-5-4-6-13(14)15/h4-7,10,12H,8-9,11H2,1-3H3,(H,19,21).
What are the key properties of N-cyclopropyl-2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetamide?
N-cyclopropyl-2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetamide has a molecular weight of 298.39 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetamide is sourced from PubChem (CID 4028183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).