propan-2-yl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate

C17H25NO4 — CID 6636318

IUPACpropan-2-yl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
SMILESCC(C)OC(=O)CC(NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C17H25NO4/c1-12(2)21-15(19)11-14(13-9-7-6-8-10-13)18-16(20)22-17(3,4)5/h6-10,12,14H,11H2,1-5H3,(H,18,20)
InChIKeyOFGIPLIVUCRGOM-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.59
Rot. Bonds5

About propan-2-yl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate

propan-2-yl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate (PubChem CID 6636318) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is propan-2-yl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
PubChem CID6636318
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Namepropan-2-yl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
SMILESCC(C)OC(=O)CC(NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C17H25NO4/c1-12(2)21-15(19)11-14(13-9-7-6-8-10-13)18-16(20)22-17(3,4)5/h6-10,12,14H,11H2,1-5H3,(H,18,20)
InChIKeyOFGIPLIVUCRGOM-UHFFFAOYSA-N
XLogP3.59
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate?
The IUPAC name of propan-2-yl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate (CID 6636318) is propan-2-yl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate.
What is the SMILES notation for propan-2-yl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate?
The canonical SMILES for propan-2-yl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate is CC(C)OC(=O)CC(NC(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of propan-2-yl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate?
The InChIKey is OFGIPLIVUCRGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-12(2)21-15(19)11-14(13-9-7-6-8-10-13)18-16(20)22-17(3,4)5/h6-10,12,14H,11H2,1-5H3,(H,18,20).
What are the key properties of propan-2-yl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate?
propan-2-yl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate has a molecular weight of 307.39 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate is sourced from PubChem (CID 6636318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).