[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethoxybenzoate

C18H25NO5 — CID 7561176

IUPAC[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethoxybenzoate
SMILESCOc1ccc(OC)c(C(=O)OCC(=O)NC2CCC(C)CC2)c1
InChIInChI=1S/C18H25NO5/c1-12-4-6-13(7-5-12)19-17(20)11-24-18(21)15-10-14(22-2)8-9-16(15)23-3/h8-10,12-13H,4-7,11H2,1-3H3,(H,19,20)
InChIKeyPKUXCPOOLXSYLQ-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.56
Rot. Bonds6

About [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethoxybenzoate

[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethoxybenzoate (PubChem CID 7561176) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethoxybenzoate.

Molecular Properties

Compound Name[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethoxybenzoate
PubChem CID7561176
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Name[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethoxybenzoate
SMILESCOc1ccc(OC)c(C(=O)OCC(=O)NC2CCC(C)CC2)c1
InChIInChI=1S/C18H25NO5/c1-12-4-6-13(7-5-12)19-17(20)11-24-18(21)15-10-14(22-2)8-9-16(15)23-3/h8-10,12-13H,4-7,11H2,1-3H3,(H,19,20)
InChIKeyPKUXCPOOLXSYLQ-UHFFFAOYSA-N
XLogP2.56
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-bromo-5-methoxybenzoate
CID 46795122
[2-(cyclopropylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate
CID 61321191
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7587081
[2-(cyclopropylamino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate
CID 7887546
[2-(cyclopropylamino)-2-oxoethyl] 2-methoxybenzoate
CID 2715031
[2-(cyclopentylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate
CID 61321950
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 7581872
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 4,5-dimethoxy-2-nitrobenzoate
CID 7043380
[2-(cyclopropylamino)-2-oxoethyl] 3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate
CID 7684989
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2,5-dimethoxybenzoate
CID 7487392
[2-(ethoxycarbonylamino)-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7561154
[2-(3-methoxyanilino)-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7586721

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethoxybenzoate?
The IUPAC name of [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethoxybenzoate (CID 7561176) is [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethoxybenzoate.
What is the SMILES notation for [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethoxybenzoate?
The canonical SMILES for [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethoxybenzoate is COc1ccc(OC)c(C(=O)OCC(=O)NC2CCC(C)CC2)c1.
What is the InChIKey of [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethoxybenzoate?
The InChIKey is PKUXCPOOLXSYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5/c1-12-4-6-13(7-5-12)19-17(20)11-24-18(21)15-10-14(22-2)8-9-16(15)23-3/h8-10,12-13H,4-7,11H2,1-3H3,(H,19,20).
What are the key properties of [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethoxybenzoate?
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethoxybenzoate has a molecular weight of 335.40 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethoxybenzoate is sourced from PubChem (CID 7561176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).