benzyl 2-[(2-amino-2-oxoethyl)amino]benzoate

C16H16N2O3 — CID 19104093

IUPACbenzyl 2-[(2-amino-2-oxoethyl)amino]benzoate
SMILESNC(=O)CNc1ccccc1C(=O)OCc1ccccc1
InChIInChI=1S/C16H16N2O3/c17-15(19)10-18-14-9-5-4-8-13(14)16(20)21-11-12-6-2-1-3-7-12/h1-9,18H,10-11H2,(H2,17,19)
InChIKeyKSRGMMKJQSIQFI-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.94
Rot. Bonds6

About benzyl 2-[(2-amino-2-oxoethyl)amino]benzoate

benzyl 2-[(2-amino-2-oxoethyl)amino]benzoate (PubChem CID 19104093) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is benzyl 2-[(2-amino-2-oxoethyl)amino]benzoate.

Molecular Properties

Compound Namebenzyl 2-[(2-amino-2-oxoethyl)amino]benzoate
PubChem CID19104093
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Namebenzyl 2-[(2-amino-2-oxoethyl)amino]benzoate
SMILESNC(=O)CNc1ccccc1C(=O)OCc1ccccc1
InChIInChI=1S/C16H16N2O3/c17-15(19)10-18-14-9-5-4-8-13(14)16(20)21-11-12-6-2-1-3-7-12/h1-9,18H,10-11H2,(H2,17,19)
InChIKeyKSRGMMKJQSIQFI-UHFFFAOYSA-N
XLogP1.94
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze benzyl 2-[(2-amino-2-oxoethyl)amino]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

benzyl 2-[[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]amino]benzoate
CID 70342190
benzyl 2-(1-hydroxypropan-2-ylamino)benzoate
CID 70188681
benzyl 2-[(2-cyanoacetyl)amino]benzoate
CID 168523295
(4-carbamoylphenyl)methyl 2-benzamidobenzoate
CID 17410103
(4-carbamoylphenyl)methyl 2-(methylamino)benzoate
CID 18136279
benzyl N-(2-amino-2-oxoethyl)carbamate
CID 69459510
benzyl 2,3-difluorobenzoate
CID 62867579
(4-iodophenyl)methyl 2-benzamidobenzoate
CID 4601230
copper(1+);2-phenylmethoxycarbonylbenzoate
CID 158888431
benzyl 2-[(3-methylbenzoyl)amino]benzoate
CID 956272
ethyl 2-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]amino]benzoate
CID 109010102
benzyl 2-[(3-aminophenyl)sulfonylamino]benzoate
CID 4784542

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(2-amino-2-oxoethyl)amino]benzoate?
The IUPAC name of benzyl 2-[(2-amino-2-oxoethyl)amino]benzoate (CID 19104093) is benzyl 2-[(2-amino-2-oxoethyl)amino]benzoate.
What is the SMILES notation for benzyl 2-[(2-amino-2-oxoethyl)amino]benzoate?
The canonical SMILES for benzyl 2-[(2-amino-2-oxoethyl)amino]benzoate is NC(=O)CNc1ccccc1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[(2-amino-2-oxoethyl)amino]benzoate?
The InChIKey is KSRGMMKJQSIQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c17-15(19)10-18-14-9-5-4-8-13(14)16(20)21-11-12-6-2-1-3-7-12/h1-9,18H,10-11H2,(H2,17,19).
What are the key properties of benzyl 2-[(2-amino-2-oxoethyl)amino]benzoate?
benzyl 2-[(2-amino-2-oxoethyl)amino]benzoate has a molecular weight of 284.31 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(2-amino-2-oxoethyl)amino]benzoate is sourced from PubChem (CID 19104093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).