[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-amino-3-methylbenzoate

C17H24N2O3 — CID 46815202

IUPAC[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-amino-3-methylbenzoate
SMILESCc1cccc(C(=O)OCC(=O)NC2CCCCC2C)c1N
InChIInChI=1S/C17H24N2O3/c1-11-6-3-4-9-14(11)19-15(20)10-22-17(21)13-8-5-7-12(2)16(13)18/h5,7-8,11,14H,3-4,6,9-10,18H2,1-2H3,(H,19,20)
InChIKeyAEONCKUEFUQDBY-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.43
Rot. Bonds4

About [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-amino-3-methylbenzoate

[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-amino-3-methylbenzoate (PubChem CID 46815202) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-amino-3-methylbenzoate.

Molecular Properties

Compound Name[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-amino-3-methylbenzoate
PubChem CID46815202
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-amino-3-methylbenzoate
SMILESCc1cccc(C(=O)OCC(=O)NC2CCCCC2C)c1N
InChIInChI=1S/C17H24N2O3/c1-11-6-3-4-9-14(11)19-15(20)10-22-17(21)13-8-5-7-12(2)16(13)18/h5,7-8,11,14H,3-4,6,9-10,18H2,1-2H3,(H,19,20)
InChIKeyAEONCKUEFUQDBY-UHFFFAOYSA-N
XLogP2.43
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2407623
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-methyl-2-nitrobenzoate
CID 2612095
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate
CID 2488552
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-methylbenzoate
CID 16522820
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-benzoylbenzoate
CID 7470473
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate
CID 7969722
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 2428741
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 2428743
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-methylsulfonylbenzoate
CID 7724731
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] benzoate
CID 2516908
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate
CID 8527913
[2-(oxan-4-ylamino)-2-oxoethyl] 2-amino-3-methylbenzoate
CID 63099058

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-amino-3-methylbenzoate?
The IUPAC name of [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-amino-3-methylbenzoate (CID 46815202) is [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-amino-3-methylbenzoate.
What is the SMILES notation for [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-amino-3-methylbenzoate?
The canonical SMILES for [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-amino-3-methylbenzoate is Cc1cccc(C(=O)OCC(=O)NC2CCCCC2C)c1N.
What is the InChIKey of [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-amino-3-methylbenzoate?
The InChIKey is AEONCKUEFUQDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-11-6-3-4-9-14(11)19-15(20)10-22-17(21)13-8-5-7-12(2)16(13)18/h5,7-8,11,14H,3-4,6,9-10,18H2,1-2H3,(H,19,20).
What are the key properties of [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-amino-3-methylbenzoate?
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-amino-3-methylbenzoate has a molecular weight of 304.39 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-amino-3-methylbenzoate is sourced from PubChem (CID 46815202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).