2-methylpropyl (3-phenylpropanoylamino) carbonate

C14H19NO4 — CID 177376026

IUPAC2-methylpropyl (3-phenylpropanoylamino) carbonate
SMILESCC(C)COC(=O)ONC(=O)CCc1ccccc1
InChIInChI=1S/C14H19NO4/c1-11(2)10-18-14(17)19-15-13(16)9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,15,16)
InChIKeySOBZUBFLEZCGDY-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.46
Rot. Bonds5

About 2-methylpropyl (3-phenylpropanoylamino) carbonate

2-methylpropyl (3-phenylpropanoylamino) carbonate (PubChem CID 177376026) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-methylpropyl (3-phenylpropanoylamino) carbonate.

Molecular Properties

Compound Name2-methylpropyl (3-phenylpropanoylamino) carbonate
PubChem CID177376026
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-methylpropyl (3-phenylpropanoylamino) carbonate
SMILESCC(C)COC(=O)ONC(=O)CCc1ccccc1
InChIInChI=1S/C14H19NO4/c1-11(2)10-18-14(17)19-15-13(16)9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,15,16)
InChIKeySOBZUBFLEZCGDY-UHFFFAOYSA-N
XLogP2.46
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-methylpropyl (3-phenylpropanoylamino) carbonate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl (3-phenylpropanoylamino) carbonate?
The IUPAC name of 2-methylpropyl (3-phenylpropanoylamino) carbonate (CID 177376026) is 2-methylpropyl (3-phenylpropanoylamino) carbonate.
What is the SMILES notation for 2-methylpropyl (3-phenylpropanoylamino) carbonate?
The canonical SMILES for 2-methylpropyl (3-phenylpropanoylamino) carbonate is CC(C)COC(=O)ONC(=O)CCc1ccccc1.
What is the InChIKey of 2-methylpropyl (3-phenylpropanoylamino) carbonate?
The InChIKey is SOBZUBFLEZCGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-11(2)10-18-14(17)19-15-13(16)9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,15,16).
What are the key properties of 2-methylpropyl (3-phenylpropanoylamino) carbonate?
2-methylpropyl (3-phenylpropanoylamino) carbonate has a molecular weight of 265.31 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl (3-phenylpropanoylamino) carbonate is sourced from PubChem (CID 177376026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).