tert-butyl 4-(benzylamino)benzoate

C18H21NO2 — CID 67130530

IUPACtert-butyl 4-(benzylamino)benzoate
SMILESCC(C)(C)OC(=O)c1ccc(NCc2ccccc2)cc1
InChIInChI=1S/C18H21NO2/c1-18(2,3)21-17(20)15-9-11-16(12-10-15)19-13-14-7-5-4-6-8-14/h4-12,19H,13H2,1-3H3
InChIKeyVCLGITNOHRBCMO-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.25
Rot. Bonds4

About tert-butyl 4-(benzylamino)benzoate

tert-butyl 4-(benzylamino)benzoate (PubChem CID 67130530) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is tert-butyl 4-(benzylamino)benzoate.

Molecular Properties

Compound Nametert-butyl 4-(benzylamino)benzoate
PubChem CID67130530
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Nametert-butyl 4-(benzylamino)benzoate
SMILESCC(C)(C)OC(=O)c1ccc(NCc2ccccc2)cc1
InChIInChI=1S/C18H21NO2/c1-18(2,3)21-17(20)15-9-11-16(12-10-15)19-13-14-7-5-4-6-8-14/h4-12,19H,13H2,1-3H3
InChIKeyVCLGITNOHRBCMO-UHFFFAOYSA-N
XLogP4.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 4-(benzylamino)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(benzylamino)phenyl]-phenylmethanone
CID 11208443
tert-butyl 2-amino-3-[4-(benzylamino)phenyl]propanoate
CID 57170607
tert-butyl N-[4-(benzylcarbamoyl)phenyl]carbamate
CID 9041136
CID 162139404
CID 162139404
methyl 4-[4-(anilinomethyl)phenyl]benzoate
CID 134537510
tert-butyl 4-(hydroxyamino)benzoate
CID 45089836
tert-butyl 3-[(4-ethylphenyl)methylamino]benzoate
CID 70963157
tert-butyl 4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamoylamino]benzoate
CID 25179118
tert-butyl 4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]benzoate
CID 70169590
4-[4-(benzylamino)phenyl]sulfonylbenzoic acid
CID 21178236
ditert-butyl benzene-1,4-dicarboxylate;hydrazine
CID 70440346
4-[[4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]benzoyl]amino]benzoyl]amino]benzoic acid
CID 155124786

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(benzylamino)benzoate?
The IUPAC name of tert-butyl 4-(benzylamino)benzoate (CID 67130530) is tert-butyl 4-(benzylamino)benzoate.
What is the SMILES notation for tert-butyl 4-(benzylamino)benzoate?
The canonical SMILES for tert-butyl 4-(benzylamino)benzoate is CC(C)(C)OC(=O)c1ccc(NCc2ccccc2)cc1.
What is the InChIKey of tert-butyl 4-(benzylamino)benzoate?
The InChIKey is VCLGITNOHRBCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-18(2,3)21-17(20)15-9-11-16(12-10-15)19-13-14-7-5-4-6-8-14/h4-12,19H,13H2,1-3H3.
What are the key properties of tert-butyl 4-(benzylamino)benzoate?
tert-butyl 4-(benzylamino)benzoate has a molecular weight of 283.37 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(benzylamino)benzoate is sourced from PubChem (CID 67130530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).