[1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(methylamino)benzoate

C17H24N2O3 — CID 24530551

IUPAC[1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(methylamino)benzoate
SMILESCNc1ccccc1C(=O)OC(C)C(=O)NC1CCCCC1
InChIInChI=1S/C17H24N2O3/c1-12(16(20)19-13-8-4-3-5-9-13)22-17(21)14-10-6-7-11-15(14)18-2/h6-7,10-13,18H,3-5,8-9H2,1-2H3,(H,19,20)
InChIKeyGGXBQXDVOPCXTI-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.72
Rot. Bonds5

About [1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(methylamino)benzoate

[1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(methylamino)benzoate (PubChem CID 24530551) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is [1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(methylamino)benzoate.

Molecular Properties

Compound Name[1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(methylamino)benzoate
PubChem CID24530551
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name[1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(methylamino)benzoate
SMILESCNc1ccccc1C(=O)OC(C)C(=O)NC1CCCCC1
InChIInChI=1S/C17H24N2O3/c1-12(16(20)19-13-8-4-3-5-9-13)22-17(21)14-10-6-7-11-15(14)18-2/h6-7,10-13,18H,3-5,8-9H2,1-2H3,(H,19,20)
InChIKeyGGXBQXDVOPCXTI-UHFFFAOYSA-N
XLogP2.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(methylamino)benzoate
CID 7373032
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(methylamino)benzoate
CID 7373033
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate
CID 40730891
[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(furan-2-ylmethylamino)benzoate
CID 27315400
[1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(furan-2-ylmethylamino)benzoate
CID 24530175
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-iodobenzoate
CID 3463336
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-fluorobenzoate
CID 7508641
[1-(cyclohexylamino)-1-oxopropan-2-yl] benzoate
CID 42902121
[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 37289545
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate
CID 4791857
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-methylsulfanylpyridine-3-carboxylate
CID 5236107
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-amino-3-methylbenzoate
CID 46815266

Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(methylamino)benzoate?
The IUPAC name of [1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(methylamino)benzoate (CID 24530551) is [1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(methylamino)benzoate.
What is the SMILES notation for [1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(methylamino)benzoate?
The canonical SMILES for [1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(methylamino)benzoate is CNc1ccccc1C(=O)OC(C)C(=O)NC1CCCCC1.
What is the InChIKey of [1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(methylamino)benzoate?
The InChIKey is GGXBQXDVOPCXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12(16(20)19-13-8-4-3-5-9-13)22-17(21)14-10-6-7-11-15(14)18-2/h6-7,10-13,18H,3-5,8-9H2,1-2H3,(H,19,20).
What are the key properties of [1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(methylamino)benzoate?
[1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(methylamino)benzoate has a molecular weight of 304.39 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(methylamino)benzoate is sourced from PubChem (CID 24530551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).