propyl 4-[(3-methylphenyl)methylamino]benzoate

C18H21NO2 — CID 43217485

IUPACpropyl 4-[(3-methylphenyl)methylamino]benzoate
SMILESCCCOC(=O)c1ccc(NCc2cccc(C)c2)cc1
InChIInChI=1S/C18H21NO2/c1-3-11-21-18(20)16-7-9-17(10-8-16)19-13-15-6-4-5-14(2)12-15/h4-10,12,19H,3,11,13H2,1-2H3
InChIKeyAKKUZNRTJCBNQQ-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.17
Rot. Bonds6

About propyl 4-[(3-methylphenyl)methylamino]benzoate

propyl 4-[(3-methylphenyl)methylamino]benzoate (PubChem CID 43217485) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is propyl 4-[(3-methylphenyl)methylamino]benzoate.

Molecular Properties

Compound Namepropyl 4-[(3-methylphenyl)methylamino]benzoate
PubChem CID43217485
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Namepropyl 4-[(3-methylphenyl)methylamino]benzoate
SMILESCCCOC(=O)c1ccc(NCc2cccc(C)c2)cc1
InChIInChI=1S/C18H21NO2/c1-3-11-21-18(20)16-7-9-17(10-8-16)19-13-15-6-4-5-14(2)12-15/h4-10,12,19H,3,11,13H2,1-2H3
InChIKeyAKKUZNRTJCBNQQ-UHFFFAOYSA-N
XLogP4.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propyl 4-[(3-cyanophenyl)methylamino]benzoate
CID 78822819
propyl 4-(pyridin-4-ylmethylamino)benzoate
CID 43217486
ethyl 2-[4-[(3-methylphenyl)methylamino]phenyl]acetate
CID 175503495
propyl 4-[(6-methyl-3-pyridinyl)methylamino]benzoate
CID 104821830
[4-[(3-methylphenyl)methylamino]phenyl]urea
CID 43744878
4-methyl-N-[4-[(3-methylphenyl)methylamino]phenyl]benzamide
CID 112982081
ethyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate
CID 113098824
methyl 4-[[2-[(3-methylphenyl)methylamino]-2-oxoethyl]amino]benzoate
CID 108996975
propyl 4-[(6-bromo-2-pyridinyl)methylamino]benzoate
CID 115937833
propyl 4-[(1-ethylpyrazol-4-yl)methylamino]benzoate
CID 103569201
ethyl 4-[[2-[[2-(3-methylphenyl)acetyl]amino]acetyl]amino]benzoate
CID 113000793
propyl 4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzoate
CID 54812904

Frequently Asked Questions

What is the IUPAC name of propyl 4-[(3-methylphenyl)methylamino]benzoate?
The IUPAC name of propyl 4-[(3-methylphenyl)methylamino]benzoate (CID 43217485) is propyl 4-[(3-methylphenyl)methylamino]benzoate.
What is the SMILES notation for propyl 4-[(3-methylphenyl)methylamino]benzoate?
The canonical SMILES for propyl 4-[(3-methylphenyl)methylamino]benzoate is CCCOC(=O)c1ccc(NCc2cccc(C)c2)cc1.
What is the InChIKey of propyl 4-[(3-methylphenyl)methylamino]benzoate?
The InChIKey is AKKUZNRTJCBNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-3-11-21-18(20)16-7-9-17(10-8-16)19-13-15-6-4-5-14(2)12-15/h4-10,12,19H,3,11,13H2,1-2H3.
What are the key properties of propyl 4-[(3-methylphenyl)methylamino]benzoate?
propyl 4-[(3-methylphenyl)methylamino]benzoate has a molecular weight of 283.37 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[(3-methylphenyl)methylamino]benzoate is sourced from PubChem (CID 43217485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).