[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-hydroxy-4-methylbenzoate

C19H23NO4 — CID 35723963

IUPAC[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-hydroxy-4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)N(C2=CCCCC2)C2CC2)cc1O
InChIInChI=1S/C19H23NO4/c1-13-7-8-14(11-17(13)21)19(23)24-12-18(22)20(16-9-10-16)15-5-3-2-4-6-15/h5,7-8,11,16,21H,2-4,6,9-10,12H2,1H3
InChIKeyWMPAIBMQOLZEIU-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.31
Rot. Bonds5

About [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-hydroxy-4-methylbenzoate

[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-hydroxy-4-methylbenzoate (PubChem CID 35723963) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-hydroxy-4-methylbenzoate.

Molecular Properties

Compound Name[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-hydroxy-4-methylbenzoate
PubChem CID35723963
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-hydroxy-4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)N(C2=CCCCC2)C2CC2)cc1O
InChIInChI=1S/C19H23NO4/c1-13-7-8-14(11-17(13)21)19(23)24-12-18(22)20(16-9-10-16)15-5-3-2-4-6-15/h5,7-8,11,16,21H,2-4,6,9-10,12H2,1H3
InChIKeyWMPAIBMQOLZEIU-UHFFFAOYSA-N
XLogP3.31
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 4-methylsulfanyl-3-nitrobenzoate
CID 8566993
[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-(ethylsulfamoyl)benzoate
CID 30974212
[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
CID 75401976
[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 2-benzamidobenzoate
CID 8569168
2-(3-aminophenoxy)-N-(cyclohexen-1-yl)-N-cyclopropylacetamide
CID 61036231
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 3-hydroxy-4-methylbenzoate
CID 46660736
[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxylate
CID 47009457
2-bromo-N-(cyclohexen-1-yl)-N-cyclopropylacetamide
CID 81222527
[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-hydroxy-4-methylbenzoate
CID 46660738
ethyl 4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazine-1-carboxylate
CID 51110425
[2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 3-amino-4-methylbenzoate
CID 61488844
[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 18201286

Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-hydroxy-4-methylbenzoate?
The IUPAC name of [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-hydroxy-4-methylbenzoate (CID 35723963) is [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-hydroxy-4-methylbenzoate.
What is the SMILES notation for [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-hydroxy-4-methylbenzoate?
The canonical SMILES for [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-hydroxy-4-methylbenzoate is Cc1ccc(C(=O)OCC(=O)N(C2=CCCCC2)C2CC2)cc1O.
What is the InChIKey of [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-hydroxy-4-methylbenzoate?
The InChIKey is WMPAIBMQOLZEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-13-7-8-14(11-17(13)21)19(23)24-12-18(22)20(16-9-10-16)15-5-3-2-4-6-15/h5,7-8,11,16,21H,2-4,6,9-10,12H2,1H3.
What are the key properties of [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-hydroxy-4-methylbenzoate?
[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-hydroxy-4-methylbenzoate has a molecular weight of 329.40 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-hydroxy-4-methylbenzoate is sourced from PubChem (CID 35723963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).