2-methylpropyl 2-[[3-(2-aminoacetyl)phenyl]carbamoyloxy]benzoate

C20H22N2O5 — CID 170860392

IUPAC2-methylpropyl 2-[[3-(2-aminoacetyl)phenyl]carbamoyloxy]benzoate
SMILESCC(C)COC(=O)c1ccccc1OC(=O)Nc1cccc(C(=O)CN)c1
InChIInChI=1S/C20H22N2O5/c1-13(2)12-26-19(24)16-8-3-4-9-18(16)27-20(25)22-15-7-5-6-14(10-15)17(23)11-21/h3-10,13H,11-12,21H2,1-2H3,(H,22,25)
InChIKeyHDGLHMNKQBCASX-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.25
Rot. Bonds7

About 2-methylpropyl 2-[[3-(2-aminoacetyl)phenyl]carbamoyloxy]benzoate

2-methylpropyl 2-[[3-(2-aminoacetyl)phenyl]carbamoyloxy]benzoate (PubChem CID 170860392) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-methylpropyl 2-[[3-(2-aminoacetyl)phenyl]carbamoyloxy]benzoate.

Molecular Properties

Compound Name2-methylpropyl 2-[[3-(2-aminoacetyl)phenyl]carbamoyloxy]benzoate
PubChem CID170860392
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name2-methylpropyl 2-[[3-(2-aminoacetyl)phenyl]carbamoyloxy]benzoate
SMILESCC(C)COC(=O)c1ccccc1OC(=O)Nc1cccc(C(=O)CN)c1
InChIInChI=1S/C20H22N2O5/c1-13(2)12-26-19(24)16-8-3-4-9-18(16)27-20(25)22-15-7-5-6-14(10-15)17(23)11-21/h3-10,13H,11-12,21H2,1-2H3,(H,22,25)
InChIKeyHDGLHMNKQBCASX-UHFFFAOYSA-N
XLogP3.25
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methylpropyl 2-[[3-(2-aminoacetyl)phenyl]carbamoyloxy]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

2-methylpropyl 3-benzamidobenzoate
CID 691358
N-[3-(2-aminoacetyl)phenyl]acetamide
CID 23372958
N-[3-(2-aminoacetyl)phenyl]-2-chloropropanamide
CID 170860874
[2-(2-methylpropoxycarbonyl)phenyl] pyridine-3-carboxylate
CID 2895243
hex-3-enyl 2-(phenylcarbamoyloxy)benzoate
CID 2870218
2-methylpropyl 2-benzoylbenzoate
CID 142743650
2-methylpropyl 2-(2-methylpropanoyl)benzoate
CID 142743653
2-methylpropyl N-[3-(methylamino)phenyl]carbamate
CID 71219513
2-methylpropyl N-(3-fluorophenyl)carbamate
CID 15908281
1-O-methyl 3-O-(2-methylpropyl) benzene-1,3-dicarboxylate
CID 22571196
[2-(3-acetylanilino)-2-oxoethyl] 2-ethoxybenzoate
CID 8607199
2-O-(2-chloropropyl) 1-O-(2-methylpropyl) benzene-1,2-dicarboxylate
CID 91720151

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-[[3-(2-aminoacetyl)phenyl]carbamoyloxy]benzoate?
The IUPAC name of 2-methylpropyl 2-[[3-(2-aminoacetyl)phenyl]carbamoyloxy]benzoate (CID 170860392) is 2-methylpropyl 2-[[3-(2-aminoacetyl)phenyl]carbamoyloxy]benzoate.
What is the SMILES notation for 2-methylpropyl 2-[[3-(2-aminoacetyl)phenyl]carbamoyloxy]benzoate?
The canonical SMILES for 2-methylpropyl 2-[[3-(2-aminoacetyl)phenyl]carbamoyloxy]benzoate is CC(C)COC(=O)c1ccccc1OC(=O)Nc1cccc(C(=O)CN)c1.
What is the InChIKey of 2-methylpropyl 2-[[3-(2-aminoacetyl)phenyl]carbamoyloxy]benzoate?
The InChIKey is HDGLHMNKQBCASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-13(2)12-26-19(24)16-8-3-4-9-18(16)27-20(25)22-15-7-5-6-14(10-15)17(23)11-21/h3-10,13H,11-12,21H2,1-2H3,(H,22,25).
What are the key properties of 2-methylpropyl 2-[[3-(2-aminoacetyl)phenyl]carbamoyloxy]benzoate?
2-methylpropyl 2-[[3-(2-aminoacetyl)phenyl]carbamoyloxy]benzoate has a molecular weight of 370.41 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-[[3-(2-aminoacetyl)phenyl]carbamoyloxy]benzoate is sourced from PubChem (CID 170860392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).