cyclopropyl-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium

C24H32N3O2+ — CID 8915976

IUPACcyclopropyl-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium
SMILESCC(C)c1ccc(C[NH+](CC(=O)Nc2ccc(C(=O)N(C)C)cc2)C2CC2)cc1
InChIInChI=1S/C24H31N3O2/c1-17(2)19-7-5-18(6-8-19)15-27(22-13-14-22)16-23(28)25-21-11-9-20(10-12-21)24(29)26(3)4/h5-12,17,22H,13-16H2,1-4H3,(H,25,28)/p+1
InChIKeyGHKINOLWTGWEFM-UHFFFAOYSA-O
MW394.54 g/mol
LogP2.70
Rot. Bonds8

About cyclopropyl-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium

cyclopropyl-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium (PubChem CID 8915976) has the molecular formula C24H32N3O2+ and a molecular weight of 394.54 g/mol. Its IUPAC name is cyclopropyl-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium.

Molecular Properties

Compound Namecyclopropyl-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium
PubChem CID8915976
Molecular FormulaC24H32N3O2+
Molecular Weight394.54 g/mol
Exact Mass394.25
IUPAC Namecyclopropyl-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium
SMILESCC(C)c1ccc(C[NH+](CC(=O)Nc2ccc(C(=O)N(C)C)cc2)C2CC2)cc1
InChIInChI=1S/C24H31N3O2/c1-17(2)19-7-5-18(6-8-19)15-27(22-13-14-22)16-23(28)25-21-11-9-20(10-12-21)24(29)26(3)4/h5-12,17,22H,13-16H2,1-4H3,(H,25,28)/p+1
InChIKeyGHKINOLWTGWEFM-UHFFFAOYSA-O
XLogP2.70
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium
CID 8916373
[2-(4-acetamidoanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
CID 8905025
cyclopropyl-[2-(2-methoxyanilino)-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium
CID 8915560
cyclopropyl-[2-(4-ethylanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8872573
(4-bromophenyl)methyl-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-methylazanium
CID 9039953
N,N'-bis[4-(dimethylcarbamoyl)phenyl]propanediamide
CID 17368155
N,N-dimethyl-4-(3-methylbutanoylamino)benzamide
CID 38105549
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium
CID 8915654
4-(4-hydroxypentanoylamino)-N,N-dimethylbenzamide
CID 79191364
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium
CID 9028860
4-[[2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetyl]amino]-N,N-dimethylbenzamide
CID 8992485
N,N-dimethyl-4-[[2-[(2R)-3-methylbutan-2-yl]sulfanylacetyl]amino]benzamide
CID 96538513

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium?
The IUPAC name of cyclopropyl-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium (CID 8915976) is cyclopropyl-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium.
What is the SMILES notation for cyclopropyl-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium?
The canonical SMILES for cyclopropyl-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium is CC(C)c1ccc(C[NH+](CC(=O)Nc2ccc(C(=O)N(C)C)cc2)C2CC2)cc1.
What is the InChIKey of cyclopropyl-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium?
The InChIKey is GHKINOLWTGWEFM-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H31N3O2/c1-17(2)19-7-5-18(6-8-19)15-27(22-13-14-22)16-23(28)25-21-11-9-20(10-12-21)24(29)26(3)4/h5-12,17,22H,13-16H2,1-4H3,(H,25,28)/p+1.
What are the key properties of cyclopropyl-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium?
cyclopropyl-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium has a molecular weight of 394.54 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium is sourced from PubChem (CID 8915976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).