1-[1-[1-(prop-2-enoylamino)propan-2-yloxy]propan-2-yloxy]propan-2-yl prop-2-enoate

C15H25NO5 — CID 143697659

IUPAC1-[1-[1-(prop-2-enoylamino)propan-2-yloxy]propan-2-yloxy]propan-2-yl prop-2-enoate
SMILESC=CC(=O)NCC(C)OCC(C)OCC(C)OC(=O)C=C
InChIInChI=1S/C15H25NO5/c1-6-14(17)16-8-11(3)19-9-12(4)20-10-13(5)21-15(18)7-2/h6-7,11-13H,1-2,8-10H2,3-5H3,(H,16,17)
InChIKeyAOYCKMMUYILUDD-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.22
Rot. Bonds11

About 1-[1-[1-(prop-2-enoylamino)propan-2-yloxy]propan-2-yloxy]propan-2-yl prop-2-enoate

1-[1-[1-(prop-2-enoylamino)propan-2-yloxy]propan-2-yloxy]propan-2-yl prop-2-enoate (PubChem CID 143697659) has the molecular formula C15H25NO5 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[1-[1-(prop-2-enoylamino)propan-2-yloxy]propan-2-yloxy]propan-2-yl prop-2-enoate.

Molecular Properties

Compound Name1-[1-[1-(prop-2-enoylamino)propan-2-yloxy]propan-2-yloxy]propan-2-yl prop-2-enoate
PubChem CID143697659
Molecular FormulaC15H25NO5
Molecular Weight299.37 g/mol
Exact Mass299.17
IUPAC Name1-[1-[1-(prop-2-enoylamino)propan-2-yloxy]propan-2-yloxy]propan-2-yl prop-2-enoate
SMILESC=CC(=O)NCC(C)OCC(C)OCC(C)OC(=O)C=C
InChIInChI=1S/C15H25NO5/c1-6-14(17)16-8-11(3)19-9-12(4)20-10-13(5)21-15(18)7-2/h6-7,11-13H,1-2,8-10H2,3-5H3,(H,16,17)
InChIKeyAOYCKMMUYILUDD-UHFFFAOYSA-N
XLogP1.22
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate
CID 139889526
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate
CID 121420632
1-(1-propoxypropan-2-yloxy)propan-2-yl prop-2-enoate
CID 20554752
1-[1-[2,2-dimethyl-3-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propan-2-yloxy]propan-2-yl prop-2-enoate
CID 91751167
1-[1-[1-(1-butoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl prop-2-enoate
CID 21458420
1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate;1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl prop-2-enoate
CID 87968331
1-(ethylidenecarbamoylamino)propan-2-yl prop-2-enoate
CID 141187712
methane;2-prop-2-enoyloxypropyl prop-2-enoate
CID 161351901
2-[2,3-bis(2-prop-2-enoyloxypropoxy)propoxy]propyl prop-2-enoate
CID 146608012
1-[1-(1-phenoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl prop-2-enoate
CID 69379024
1-acetyloxypropan-2-yl prop-2-enoate
CID 87413306
2-[1-[2-[2-[2-(2-prop-2-enoyloxyethylcarbamoyloxy)propoxy]propoxy]propoxy]propan-2-yloxycarbonylamino]ethyl prop-2-enoate
CID 153411308

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(prop-2-enoylamino)propan-2-yloxy]propan-2-yloxy]propan-2-yl prop-2-enoate?
The IUPAC name of 1-[1-[1-(prop-2-enoylamino)propan-2-yloxy]propan-2-yloxy]propan-2-yl prop-2-enoate (CID 143697659) is 1-[1-[1-(prop-2-enoylamino)propan-2-yloxy]propan-2-yloxy]propan-2-yl prop-2-enoate.
What is the SMILES notation for 1-[1-[1-(prop-2-enoylamino)propan-2-yloxy]propan-2-yloxy]propan-2-yl prop-2-enoate?
The canonical SMILES for 1-[1-[1-(prop-2-enoylamino)propan-2-yloxy]propan-2-yloxy]propan-2-yl prop-2-enoate is C=CC(=O)NCC(C)OCC(C)OCC(C)OC(=O)C=C.
What is the InChIKey of 1-[1-[1-(prop-2-enoylamino)propan-2-yloxy]propan-2-yloxy]propan-2-yl prop-2-enoate?
The InChIKey is AOYCKMMUYILUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO5/c1-6-14(17)16-8-11(3)19-9-12(4)20-10-13(5)21-15(18)7-2/h6-7,11-13H,1-2,8-10H2,3-5H3,(H,16,17).
What are the key properties of 1-[1-[1-(prop-2-enoylamino)propan-2-yloxy]propan-2-yloxy]propan-2-yl prop-2-enoate?
1-[1-[1-(prop-2-enoylamino)propan-2-yloxy]propan-2-yloxy]propan-2-yl prop-2-enoate has a molecular weight of 299.37 g/mol, XLogP of 1.22, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(prop-2-enoylamino)propan-2-yloxy]propan-2-yloxy]propan-2-yl prop-2-enoate is sourced from PubChem (CID 143697659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).