methyl 4-(3,5-dicyclopropyl-N-methylanilino)benzoate

C21H23NO2 — CID 156776197

IUPACmethyl 4-(3,5-dicyclopropyl-N-methylanilino)benzoate
SMILESCOC(=O)c1ccc(N(C)c2cc(C3CC3)cc(C3CC3)c2)cc1
InChIInChI=1S/C21H23NO2/c1-22(19-9-7-16(8-10-19)21(23)24-2)20-12-17(14-3-4-14)11-18(13-20)15-5-6-15/h7-15H,3-6H2,1-2H3
InChIKeyBSLAEEAWPOUWHC-UHFFFAOYSA-N
MW321.42 g/mol
LogP5.00
Rot. Bonds5

About methyl 4-(3,5-dicyclopropyl-N-methylanilino)benzoate

methyl 4-(3,5-dicyclopropyl-N-methylanilino)benzoate (PubChem CID 156776197) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is methyl 4-(3,5-dicyclopropyl-N-methylanilino)benzoate.

Molecular Properties

Compound Namemethyl 4-(3,5-dicyclopropyl-N-methylanilino)benzoate
PubChem CID156776197
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Namemethyl 4-(3,5-dicyclopropyl-N-methylanilino)benzoate
SMILESCOC(=O)c1ccc(N(C)c2cc(C3CC3)cc(C3CC3)c2)cc1
InChIInChI=1S/C21H23NO2/c1-22(19-9-7-16(8-10-19)21(23)24-2)20-12-17(14-3-4-14)11-18(13-20)15-5-6-15/h7-15H,3-6H2,1-2H3
InChIKeyBSLAEEAWPOUWHC-UHFFFAOYSA-N
XLogP5.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(4-methoxycarbonyl-N-methylanilino)benzoate
CID 11335546
methyl 6-cyclopropylnaphthalene-2-carboxylate
CID 54752886
ethane;methyl 4-bromobenzoate;methyl 4-cyclopropylbenzoate
CID 144872712
methyl 4-(4-methoxycarbonyl-N-(4-methoxycarbonylphenyl)anilino)benzoate
CID 143837659
4-(3,5-dicyclopropyl-N-methylanilino)-3-fluorobenzoic acid
CID 156776193
methyl 4-cyclopropyl-3-[methyl(oxido)amino]benzoate
CID 163773913
methyl 4-[methyl(pyrrolidin-2-yl)amino]benzoate
CID 69333583
methyl 4-[methyl(nitroso)amino]benzoate
CID 72697074
methyl 4-[3-(4-cyclohexylphenyl)-3-oxopropanoyl]benzoate
CID 67375575
methyl 4-(8-azabicyclo[3.2.1]octan-3-yl)benzoate
CID 24904224
methyl 4-(N-(4-methoxycarbonylphenyl)-4-methylanilino)benzoate
CID 102198007
1-methoxycarbonyl-4-[methyl(sulfinato)amino]benzene
CID 174542408

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3,5-dicyclopropyl-N-methylanilino)benzoate?
The IUPAC name of methyl 4-(3,5-dicyclopropyl-N-methylanilino)benzoate (CID 156776197) is methyl 4-(3,5-dicyclopropyl-N-methylanilino)benzoate.
What is the SMILES notation for methyl 4-(3,5-dicyclopropyl-N-methylanilino)benzoate?
The canonical SMILES for methyl 4-(3,5-dicyclopropyl-N-methylanilino)benzoate is COC(=O)c1ccc(N(C)c2cc(C3CC3)cc(C3CC3)c2)cc1.
What is the InChIKey of methyl 4-(3,5-dicyclopropyl-N-methylanilino)benzoate?
The InChIKey is BSLAEEAWPOUWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c1-22(19-9-7-16(8-10-19)21(23)24-2)20-12-17(14-3-4-14)11-18(13-20)15-5-6-15/h7-15H,3-6H2,1-2H3.
What are the key properties of methyl 4-(3,5-dicyclopropyl-N-methylanilino)benzoate?
methyl 4-(3,5-dicyclopropyl-N-methylanilino)benzoate has a molecular weight of 321.42 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3,5-dicyclopropyl-N-methylanilino)benzoate is sourced from PubChem (CID 156776197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).