2-[2-[2,2-dimethylbutanoyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid

C17H30N2O4 — CID 20761270

IUPAC2-[2-[2,2-dimethylbutanoyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCCC(C)(C)C(=O)N(C)CCNC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C17H30N2O4/c1-5-17(2,3)16(23)19(4)11-10-18-14(20)12-8-6-7-9-13(12)15(21)22/h12-13H,5-11H2,1-4H3,(H,18,20)(H,21,22)
InChIKeyZZXCPNNBOOOGOG-UHFFFAOYSA-N
MW326.44 g/mol
LogP1.89
Rot. Bonds7

About 2-[2-[2,2-dimethylbutanoyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid

2-[2-[2,2-dimethylbutanoyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 20761270) has the molecular formula C17H30N2O4 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[2-[2,2-dimethylbutanoyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-[2,2-dimethylbutanoyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID20761270
Molecular FormulaC17H30N2O4
Molecular Weight326.44 g/mol
Exact Mass326.22
IUPAC Name2-[2-[2,2-dimethylbutanoyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCCC(C)(C)C(=O)N(C)CCNC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C17H30N2O4/c1-5-17(2,3)16(23)19(4)11-10-18-14(20)12-8-6-7-9-13(12)15(21)22/h12-13H,5-11H2,1-4H3,(H,18,20)(H,21,22)
InChIKeyZZXCPNNBOOOGOG-UHFFFAOYSA-N
XLogP1.89
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[2,2-dimethylbutanoyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid;4-[5-(2,2-dimethylbutanoyloxy)-4-hydroxypentanoyl]cyclobutane-1,2,3-tricarboxylic acid;4-[[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl]amino]cyclohexane-1-carboxylic acid
CID 90982181
2-[3-(methylamino)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 61403958
cis-(1R,2S)-2-[2-(N-methylanilino)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124524957
cis-(1S,2R)-2-(2-acetamidoethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 42302869
2-(decylcarbamoyl)cyclohexane-1-carboxylic acid
CID 5139462
2-(2-cyclobutylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 115752919
2-(2-methylbutan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 43529282
2-[2-(2-methylpropanoylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 60934525
2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylcarbamoyl]cyclohexane-1-carboxylic acid
CID 71264419
2-(3,3-dimethylbutylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120975213
2-(2-cyclopentylethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120975015
2-[methyl-[2-(methylamino)ethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103978815

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2,2-dimethylbutanoyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[2-[2,2-dimethylbutanoyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid (CID 20761270) is 2-[2-[2,2-dimethylbutanoyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[2-[2,2-dimethylbutanoyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[2-[2,2-dimethylbutanoyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid is CCC(C)(C)C(=O)N(C)CCNC(=O)C1CCCCC1C(=O)O.
What is the InChIKey of 2-[2-[2,2-dimethylbutanoyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is ZZXCPNNBOOOGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O4/c1-5-17(2,3)16(23)19(4)11-10-18-14(20)12-8-6-7-9-13(12)15(21)22/h12-13H,5-11H2,1-4H3,(H,18,20)(H,21,22).
What are the key properties of 2-[2-[2,2-dimethylbutanoyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid?
2-[2-[2,2-dimethylbutanoyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 326.44 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2,2-dimethylbutanoyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 20761270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).