[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 4-cyclohexylbutanoate

C21H30N2O4 — CID 7554889

IUPAC[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 4-cyclohexylbutanoate
SMILESCN(C)C(=O)c1ccc(NC(=O)COC(=O)CCCC2CCCCC2)cc1
InChIInChI=1S/C21H30N2O4/c1-23(2)21(26)17-11-13-18(14-12-17)22-19(24)15-27-20(25)10-6-9-16-7-4-3-5-8-16/h11-14,16H,3-10,15H2,1-2H3,(H,22,24)
InChIKeyFXGFCQYXHFIGLR-UHFFFAOYSA-N
MW374.48 g/mol
LogP3.62
Rot. Bonds8

About [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 4-cyclohexylbutanoate

[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 4-cyclohexylbutanoate (PubChem CID 7554889) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 4-cyclohexylbutanoate.

Molecular Properties

Compound Name[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 4-cyclohexylbutanoate
PubChem CID7554889
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Name[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 4-cyclohexylbutanoate
SMILESCN(C)C(=O)c1ccc(NC(=O)COC(=O)CCCC2CCCCC2)cc1
InChIInChI=1S/C21H30N2O4/c1-23(2)21(26)17-11-13-18(14-12-17)22-19(24)15-27-20(25)10-6-9-16-7-4-3-5-8-16/h11-14,16H,3-10,15H2,1-2H3,(H,22,24)
InChIKeyFXGFCQYXHFIGLR-UHFFFAOYSA-N
XLogP3.62
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-(dimethylamino)anilino]-2-oxoethyl] 4-cyclohexylbutanoate
CID 7149751
[2-(4-carbamoylanilino)-2-oxoethyl] 4-cyclohexylbutanoate
CID 7554876
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 4-cyclohexylbutanoate
CID 7554863
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] (1S)-cyclohex-3-ene-1-carboxylate
CID 7949074
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-phenylpropanoate
CID 7043065
4-(4-cyclohexylbutanoylamino)benzoic acid
CID 10803376
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanoate
CID 55324130
[2-(2-iodoanilino)-2-oxoethyl] 4-cyclohexylbutanoate
CID 18293041
methyl 4-[[2-[5-(cyclohexylamino)-5-oxopentanoyl]oxyacetyl]amino]benzoate
CID 9067659
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-methylpropanoate
CID 7782647
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
CID 8672080
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 9328171

Frequently Asked Questions

What is the IUPAC name of [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 4-cyclohexylbutanoate?
The IUPAC name of [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 4-cyclohexylbutanoate (CID 7554889) is [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 4-cyclohexylbutanoate.
What is the SMILES notation for [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 4-cyclohexylbutanoate?
The canonical SMILES for [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 4-cyclohexylbutanoate is CN(C)C(=O)c1ccc(NC(=O)COC(=O)CCCC2CCCCC2)cc1.
What is the InChIKey of [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 4-cyclohexylbutanoate?
The InChIKey is FXGFCQYXHFIGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-23(2)21(26)17-11-13-18(14-12-17)22-19(24)15-27-20(25)10-6-9-16-7-4-3-5-8-16/h11-14,16H,3-10,15H2,1-2H3,(H,22,24).
What are the key properties of [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 4-cyclohexylbutanoate?
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 4-cyclohexylbutanoate has a molecular weight of 374.48 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 4-cyclohexylbutanoate is sourced from PubChem (CID 7554889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).