methyl 4-[cyclopropyl(1-cyclopropylpropyl)amino]benzoate

C17H23NO2 — CID 156776202

IUPACmethyl 4-[cyclopropyl(1-cyclopropylpropyl)amino]benzoate
SMILESCCC(C1CC1)N(c1ccc(C(=O)OC)cc1)C1CC1
InChIInChI=1S/C17H23NO2/c1-3-16(12-4-5-12)18(15-10-11-15)14-8-6-13(7-9-14)17(19)20-2/h6-9,12,15-16H,3-5,10-11H2,1-2H3
InChIKeyFQLVSWWTOFHVML-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.63
Rot. Bonds6

About methyl 4-[cyclopropyl(1-cyclopropylpropyl)amino]benzoate

methyl 4-[cyclopropyl(1-cyclopropylpropyl)amino]benzoate (PubChem CID 156776202) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is methyl 4-[cyclopropyl(1-cyclopropylpropyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[cyclopropyl(1-cyclopropylpropyl)amino]benzoate
PubChem CID156776202
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Namemethyl 4-[cyclopropyl(1-cyclopropylpropyl)amino]benzoate
SMILESCCC(C1CC1)N(c1ccc(C(=O)OC)cc1)C1CC1
InChIInChI=1S/C17H23NO2/c1-3-16(12-4-5-12)18(15-10-11-15)14-8-6-13(7-9-14)17(19)20-2/h6-9,12,15-16H,3-5,10-11H2,1-2H3
InChIKeyFQLVSWWTOFHVML-UHFFFAOYSA-N
XLogP3.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(1-cyclopropylpropylamino)benzoate
CID 64917542
methyl 4-(4-methoxycarbonyl-N-(4-methoxycarbonylphenyl)anilino)benzoate
CID 143837659
methyl 4-[[(4-chlorophenyl)sulfonyl-(1-cyclopentylpropyl)amino]methyl]benzoate
CID 78107937
methyl 4-(4-methoxycarbonyl-N-methylanilino)benzoate
CID 11335546
methyl 4-[cyclopentanecarbonyl(ethyl)amino]benzoate
CID 66998977
methyl 4-(dicyclopropylmethylsulfamoyl)benzoate
CID 31847332
methyl 4-[(2-cyclopropylpropylamino)methyl]benzoate
CID 115905006
methyl 4-(N-(4-methoxycarbonylphenyl)-4-methylanilino)benzoate
CID 102198007
methyl 4-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethoxy]benzoate
CID 34140038
methyl 4-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]benzoate
CID 134310378
methyl 4-[cyclopropyl(phenyl)methyl]benzoate
CID 164671070
methyl 4-[(1R)-2-cyclopropyl-1-hydroxyethyl]benzoate
CID 129406904

Frequently Asked Questions

What is the IUPAC name of methyl 4-[cyclopropyl(1-cyclopropylpropyl)amino]benzoate?
The IUPAC name of methyl 4-[cyclopropyl(1-cyclopropylpropyl)amino]benzoate (CID 156776202) is methyl 4-[cyclopropyl(1-cyclopropylpropyl)amino]benzoate.
What is the SMILES notation for methyl 4-[cyclopropyl(1-cyclopropylpropyl)amino]benzoate?
The canonical SMILES for methyl 4-[cyclopropyl(1-cyclopropylpropyl)amino]benzoate is CCC(C1CC1)N(c1ccc(C(=O)OC)cc1)C1CC1.
What is the InChIKey of methyl 4-[cyclopropyl(1-cyclopropylpropyl)amino]benzoate?
The InChIKey is FQLVSWWTOFHVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-3-16(12-4-5-12)18(15-10-11-15)14-8-6-13(7-9-14)17(19)20-2/h6-9,12,15-16H,3-5,10-11H2,1-2H3.
What are the key properties of methyl 4-[cyclopropyl(1-cyclopropylpropyl)amino]benzoate?
methyl 4-[cyclopropyl(1-cyclopropylpropyl)amino]benzoate has a molecular weight of 273.38 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[cyclopropyl(1-cyclopropylpropyl)amino]benzoate is sourced from PubChem (CID 156776202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).