methyl 3-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-4-methylbenzoate

C18H26N2O3 — CID 51170598

IUPACmethyl 3-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)CN(C)C2CCCCC2)c1
InChIInChI=1S/C18H26N2O3/c1-13-9-10-14(18(22)23-3)11-16(13)19-17(21)12-20(2)15-7-5-4-6-8-15/h9-11,15H,4-8,12H2,1-3H3,(H,19,21)
InChIKeyIDSDWOFNTQLRMP-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.98
Rot. Bonds5

About methyl 3-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-4-methylbenzoate

methyl 3-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-4-methylbenzoate (PubChem CID 51170598) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is methyl 3-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-4-methylbenzoate
PubChem CID51170598
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Namemethyl 3-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)CN(C)C2CCCCC2)c1
InChIInChI=1S/C18H26N2O3/c1-13-9-10-14(18(22)23-3)11-16(13)19-17(21)12-20(2)15-7-5-4-6-8-15/h9-11,15H,4-8,12H2,1-3H3,(H,19,21)
InChIKeyIDSDWOFNTQLRMP-UHFFFAOYSA-N
XLogP2.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-4-methylbenzoate with MolForge

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Related Compounds

methyl 3-[[2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetyl]amino]-4-methylbenzoate
CID 55626116
methyl 3-[(2-cyclopentylsulfanylacetyl)amino]-4-methylbenzoate
CID 7395646
2-[cycloheptyl(methyl)amino]-N-(2-methylphenyl)acetamide
CID 16577693
methyl 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzoate
CID 40706173
methyl 3-[[2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetyl]amino]-4-methylbenzoate
CID 7920523
methyl 3-[[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-4-methylbenzoate
CID 32701380
methyl 3-[[2-[(1S)-cyclohex-3-ene-1-carbonyl]oxyacetyl]amino]-4-methylbenzoate
CID 7932212
methyl 4-methyl-3-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]benzoate
CID 8543283
methyl 4-chloro-3-[[2-[cyclopentyl(methylsulfonyl)amino]acetyl]amino]benzoate
CID 113148972
methyl 3-[[2-[2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetyl]oxyacetyl]amino]-4-methylbenzoate
CID 7906677
2-[cycloheptyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 16577746
2-[cyclohexyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 4818302

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-4-methylbenzoate?
The IUPAC name of methyl 3-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-4-methylbenzoate (CID 51170598) is methyl 3-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-4-methylbenzoate.
What is the SMILES notation for methyl 3-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-4-methylbenzoate?
The canonical SMILES for methyl 3-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-4-methylbenzoate is COC(=O)c1ccc(C)c(NC(=O)CN(C)C2CCCCC2)c1.
What is the InChIKey of methyl 3-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-4-methylbenzoate?
The InChIKey is IDSDWOFNTQLRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-13-9-10-14(18(22)23-3)11-16(13)19-17(21)12-20(2)15-7-5-4-6-8-15/h9-11,15H,4-8,12H2,1-3H3,(H,19,21).
What are the key properties of methyl 3-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-4-methylbenzoate?
methyl 3-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-4-methylbenzoate has a molecular weight of 318.42 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-4-methylbenzoate is sourced from PubChem (CID 51170598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).