N-(2,5-dimethylphenyl)-2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetamide

C23H26N2O2 — CID 3525622

IUPACN-(2,5-dimethylphenyl)-2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetamide
SMILESCc1ccc(C)c(NC(=O)Cn2cc(C(=O)C(C)(C)C)c3ccccc32)c1
InChIInChI=1S/C23H26N2O2/c1-15-10-11-16(2)19(12-15)24-21(26)14-25-13-18(22(27)23(3,4)5)17-8-6-7-9-20(17)25/h6-13H,14H2,1-5H3,(H,24,26)
InChIKeyKPTFDQRKOJADOK-UHFFFAOYSA-N
MW362.47 g/mol
LogP5.13
Rot. Bonds4

About N-(2,5-dimethylphenyl)-2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetamide

N-(2,5-dimethylphenyl)-2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetamide (PubChem CID 3525622) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetamide
PubChem CID3525622
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC NameN-(2,5-dimethylphenyl)-2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetamide
SMILESCc1ccc(C)c(NC(=O)Cn2cc(C(=O)C(C)(C)C)c3ccccc32)c1
InChIInChI=1S/C23H26N2O2/c1-15-10-11-16(2)19(12-15)24-21(26)14-25-13-18(22(27)23(3,4)5)17-8-6-7-9-20(17)25/h6-13H,14H2,1-5H3,(H,24,26)
InChIKeyKPTFDQRKOJADOK-UHFFFAOYSA-N
XLogP5.13
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylphenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292470
2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 30292063
methyl 2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetate
CID 2973654
N-cyclopropyl-2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetamide
CID 4028183
N-(5-chloro-2-methylphenyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
CID 16935677
N-(5-chloro-2-methylphenyl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292716
N-(2-fluoro-5-methylphenyl)-2-(3-formylindol-1-yl)acetamide
CID 954284
2-(3-acetylindol-1-yl)-N-tert-butylacetamide
CID 972491
N-(2,5-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide
CID 5065229
methyl 1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]indole-3-carboxylate
CID 34232696
N-(2,5-dimethylphenyl)-2-(5-ethyl-4-oxopyrrolo[3,2-c]pyridin-1-yl)acetamide
CID 46395562
N-(2-chlorophenyl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292664

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetamide (CID 3525622) is N-(2,5-dimethylphenyl)-2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetamide is Cc1ccc(C)c(NC(=O)Cn2cc(C(=O)C(C)(C)C)c3ccccc32)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetamide?
The InChIKey is KPTFDQRKOJADOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-15-10-11-16(2)19(12-15)24-21(26)14-25-13-18(22(27)23(3,4)5)17-8-6-7-9-20(17)25/h6-13H,14H2,1-5H3,(H,24,26).
What are the key properties of N-(2,5-dimethylphenyl)-2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetamide?
N-(2,5-dimethylphenyl)-2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetamide has a molecular weight of 362.47 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetamide is sourced from PubChem (CID 3525622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).