[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate

C18H25NO3 — CID 40699149

IUPAC[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate
SMILESCc1ccc(C(=O)O[C@H](C)C(=O)NC2CCCCC2)c(C)c1
InChIInChI=1S/C18H25NO3/c1-12-9-10-16(13(2)11-12)18(21)22-14(3)17(20)19-15-7-5-4-6-8-15/h9-11,14-15H,4-8H2,1-3H3,(H,19,20)/t14-/m1/s1
InChIKeySCHMSYJHQNGVLS-CQSZACIVSA-N
MW303.40 g/mol
LogP3.30
Rot. Bonds4

About [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate

[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate (PubChem CID 40699149) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate.

Molecular Properties

Compound Name[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate
PubChem CID40699149
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate
SMILESCc1ccc(C(=O)O[C@H](C)C(=O)NC2CCCCC2)c(C)c1
InChIInChI=1S/C18H25NO3/c1-12-9-10-16(13(2)11-12)18(21)22-14(3)17(20)19-15-7-5-4-6-8-15/h9-11,14-15H,4-8H2,1-3H3,(H,19,20)/t14-/m1/s1
InChIKeySCHMSYJHQNGVLS-CQSZACIVSA-N
XLogP3.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate with MolForge

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Related Compounds

[1-(cyclopentylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate
CID 61322121
N-cycloheptyl-2-(2,4-dimethylphenyl)-2-oxoacetamide
CID 94282724
N-cyclododecyl-2,4-dimethylbenzamide
CID 19656258
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate
CID 40730891
[1-(cyclopentylamino)-1-oxopropan-2-yl] 4-amino-3-methylbenzoate
CID 61322016
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 4-bromo-2-fluorobenzoate
CID 9387980
N-cyclopentyl-2-(2,4-dimethylphenyl)-2-oxoacetamide
CID 82118308
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2,5-dimethylthiophene-3-carboxylate
CID 8878392
[1-(cyclohexylamino)-1-oxopropan-2-yl] 4-[(2,5-dimethylphenyl)sulfonylamino]benzoate
CID 24530569
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-amino-3-methylbenzoate
CID 46815266
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-fluoro-4-methylbenzoate
CID 9386869
[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 5-chloro-2-fluorobenzoate
CID 8620496

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate?
The IUPAC name of [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate (CID 40699149) is [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate.
What is the SMILES notation for [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate?
The canonical SMILES for [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate is Cc1ccc(C(=O)O[C@H](C)C(=O)NC2CCCCC2)c(C)c1.
What is the InChIKey of [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate?
The InChIKey is SCHMSYJHQNGVLS-CQSZACIVSA-N. The full InChI is InChI=1S/C18H25NO3/c1-12-9-10-16(13(2)11-12)18(21)22-14(3)17(20)19-15-7-5-4-6-8-15/h9-11,14-15H,4-8H2,1-3H3,(H,19,20)/t14-/m1/s1.
What are the key properties of [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate?
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate has a molecular weight of 303.40 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate is sourced from PubChem (CID 40699149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).