1,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl prop-2-enoate

C16H28N2O6 — CID 142934119

IUPAC1,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C16H28N2O6/c1-8-12(19)22-11(9-17-13(20)23-15(2,3)4)10-18-14(21)24-16(5,6)7/h8,11H,1,9-10H2,2-7H3,(H,17,20)(H,18,21)
InChIKeyNKDUZESQWKFKAH-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.13
Rot. Bonds6

About 1,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl prop-2-enoate

1,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl prop-2-enoate (PubChem CID 142934119) has the molecular formula C16H28N2O6 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl prop-2-enoate.

Molecular Properties

Compound Name1,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl prop-2-enoate
PubChem CID142934119
Molecular FormulaC16H28N2O6
Molecular Weight344.41 g/mol
Exact Mass344.19
IUPAC Name1,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C16H28N2O6/c1-8-12(19)22-11(9-17-13(20)23-15(2,3)4)10-18-14(21)24-16(5,6)7/h8,11H,1,9-10H2,2-7H3,(H,17,20)(H,18,21)
InChIKeyNKDUZESQWKFKAH-UHFFFAOYSA-N
XLogP2.13
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl prop-2-enoate?
The IUPAC name of 1,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl prop-2-enoate (CID 142934119) is 1,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl prop-2-enoate.
What is the SMILES notation for 1,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl prop-2-enoate?
The canonical SMILES for 1,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl prop-2-enoate is C=CC(=O)OC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C.
What is the InChIKey of 1,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl prop-2-enoate?
The InChIKey is NKDUZESQWKFKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O6/c1-8-12(19)22-11(9-17-13(20)23-15(2,3)4)10-18-14(21)24-16(5,6)7/h8,11H,1,9-10H2,2-7H3,(H,17,20)(H,18,21).
What are the key properties of 1,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl prop-2-enoate?
1,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl prop-2-enoate has a molecular weight of 344.41 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl prop-2-enoate is sourced from PubChem (CID 142934119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).