methyl 4-(3-cyclohexylpropanoylamino)-3-methylbenzoate

C18H25NO3 — CID 38091591

IUPACmethyl 4-(3-cyclohexylpropanoylamino)-3-methylbenzoate
SMILESCOC(=O)c1ccc(NC(=O)CCC2CCCCC2)c(C)c1
InChIInChI=1S/C18H25NO3/c1-13-12-15(18(21)22-2)9-10-16(13)19-17(20)11-8-14-6-4-3-5-7-14/h9-10,12,14H,3-8,11H2,1-2H3,(H,19,20)
InChIKeyFWLJGYPJJLFQJY-UHFFFAOYSA-N
MW303.40 g/mol
LogP4.08
Rot. Bonds5

About methyl 4-(3-cyclohexylpropanoylamino)-3-methylbenzoate

methyl 4-(3-cyclohexylpropanoylamino)-3-methylbenzoate (PubChem CID 38091591) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is methyl 4-(3-cyclohexylpropanoylamino)-3-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-(3-cyclohexylpropanoylamino)-3-methylbenzoate
PubChem CID38091591
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Namemethyl 4-(3-cyclohexylpropanoylamino)-3-methylbenzoate
SMILESCOC(=O)c1ccc(NC(=O)CCC2CCCCC2)c(C)c1
InChIInChI=1S/C18H25NO3/c1-13-12-15(18(21)22-2)9-10-16(13)19-17(20)11-8-14-6-4-3-5-7-14/h9-10,12,14H,3-8,11H2,1-2H3,(H,19,20)
InChIKeyFWLJGYPJJLFQJY-UHFFFAOYSA-N
XLogP4.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl 2-(3-cyclohexylpropanoylamino)benzene-1,4-dicarboxylate
CID 843119
methyl 4-[[2-(cyclopentylamino)acetyl]amino]-3-methylbenzoate
CID 60849797
methyl 4-(3-aminopropanoylamino)-3-methylbenzoate
CID 43712706
methyl 4-(3-bromopropanoylamino)-3-methylbenzoate
CID 13400011
methyl 4-(6-bromohexanoylamino)-3-methylbenzoate
CID 69206251
methyl 4-(cyclopentylamino)-3-methylbenzoate
CID 43730521
N-(2-acetamido-5-methylphenyl)-3-cyclohexylpropanamide
CID 131913766
3,4-bis(3-cyclohexylpropanoylamino)benzoate
CID 7309256
methyl 4-[(2-amino-2-cyclopropylpropanoyl)amino]-3-methylbenzoate
CID 60867367
methyl 4-[3-(4-methoxyphenyl)propanoylamino]-3-methylbenzoate
CID 36930959
3-cyclopentyl-N-(2-hydroxy-4-methylphenyl)propanamide
CID 7979725
methyl 3-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-4-methylbenzoate
CID 51170598

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-cyclohexylpropanoylamino)-3-methylbenzoate?
The IUPAC name of methyl 4-(3-cyclohexylpropanoylamino)-3-methylbenzoate (CID 38091591) is methyl 4-(3-cyclohexylpropanoylamino)-3-methylbenzoate.
What is the SMILES notation for methyl 4-(3-cyclohexylpropanoylamino)-3-methylbenzoate?
The canonical SMILES for methyl 4-(3-cyclohexylpropanoylamino)-3-methylbenzoate is COC(=O)c1ccc(NC(=O)CCC2CCCCC2)c(C)c1.
What is the InChIKey of methyl 4-(3-cyclohexylpropanoylamino)-3-methylbenzoate?
The InChIKey is FWLJGYPJJLFQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-13-12-15(18(21)22-2)9-10-16(13)19-17(20)11-8-14-6-4-3-5-7-14/h9-10,12,14H,3-8,11H2,1-2H3,(H,19,20).
What are the key properties of methyl 4-(3-cyclohexylpropanoylamino)-3-methylbenzoate?
methyl 4-(3-cyclohexylpropanoylamino)-3-methylbenzoate has a molecular weight of 303.40 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-cyclohexylpropanoylamino)-3-methylbenzoate is sourced from PubChem (CID 38091591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).