2-[3-(2-prop-2-enoyloxyethoxycarbonylamino)propylcarbamoyloxy]ethyl prop-2-enoate

C15H22N2O8 — CID 87915817

IUPAC2-[3-(2-prop-2-enoyloxyethoxycarbonylamino)propylcarbamoyloxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOC(=O)NCCCNC(=O)OCCOC(=O)C=C
InChIInChI=1S/C15H22N2O8/c1-3-12(18)22-8-10-24-14(20)16-6-5-7-17-15(21)25-11-9-23-13(19)4-2/h3-4H,1-2,5-11H2,(H,16,20)(H,17,21)
InChIKeyNXYXFUIDQHUEKS-UHFFFAOYSA-N
MW358.35 g/mol
LogP0.29
Rot. Bonds12

About 2-[3-(2-prop-2-enoyloxyethoxycarbonylamino)propylcarbamoyloxy]ethyl prop-2-enoate

2-[3-(2-prop-2-enoyloxyethoxycarbonylamino)propylcarbamoyloxy]ethyl prop-2-enoate (PubChem CID 87915817) has the molecular formula C15H22N2O8 and a molecular weight of 358.35 g/mol. Its IUPAC name is 2-[3-(2-prop-2-enoyloxyethoxycarbonylamino)propylcarbamoyloxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[3-(2-prop-2-enoyloxyethoxycarbonylamino)propylcarbamoyloxy]ethyl prop-2-enoate
PubChem CID87915817
Molecular FormulaC15H22N2O8
Molecular Weight358.35 g/mol
Exact Mass358.14
IUPAC Name2-[3-(2-prop-2-enoyloxyethoxycarbonylamino)propylcarbamoyloxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOC(=O)NCCCNC(=O)OCCOC(=O)C=C
InChIInChI=1S/C15H22N2O8/c1-3-12(18)22-8-10-24-14(20)16-6-5-7-17-15(21)25-11-9-23-13(19)4-2/h3-4H,1-2,5-11H2,(H,16,20)(H,17,21)
InChIKeyNXYXFUIDQHUEKS-UHFFFAOYSA-N
XLogP0.29
TPSA129.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-[6-(3-prop-2-enoyloxypropoxycarbonylamino)hexylcarbamoyloxy]propyl prop-2-enoate
CID 58975893
2-(tetradecylcarbamoyloxy)ethyl prop-2-enoate
CID 171651397
2-(heptadecylcarbamoyloxy)ethyl prop-2-enoate
CID 171651423
2-(decylcarbamoyloxy)ethyl prop-2-enoate
CID 122555467
2-[3-[[dimethyl-[3-(2-prop-2-enoyloxyethoxycarbonylamino)propyl]silyl]oxy-dimethylsilyl]propylcarbamoyloxy]ethyl prop-2-enoate
CID 140879603
2-(3-prop-2-enoyloxypropylcarbamoyloxy)ethyl 2-methylbutanoate
CID 167317155
2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethyl 2-methylpropanoate
CID 140648691
5-(ethoxycarbonylamino)pentyl prop-2-enoate
CID 118485730
2-[2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxy]ethoxycarbonylamino]ethyl prop-2-enoate
CID 162702779
4-(iodooxycarbonylamino)butyl prop-2-enoate
CID 154989529
2-(octoxycarbonylamino)ethyl prop-2-enoate
CID 101151020
2-[2-[2-[2-[2-[2-[2-[2-[2-[6-[2,4,6-trioxo-3,5-bis[6-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxycarbonylamino]hexyl]-1,3,5-triazinan-1-yl]hexylcarbamoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 102032461

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-prop-2-enoyloxyethoxycarbonylamino)propylcarbamoyloxy]ethyl prop-2-enoate?
The IUPAC name of 2-[3-(2-prop-2-enoyloxyethoxycarbonylamino)propylcarbamoyloxy]ethyl prop-2-enoate (CID 87915817) is 2-[3-(2-prop-2-enoyloxyethoxycarbonylamino)propylcarbamoyloxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[3-(2-prop-2-enoyloxyethoxycarbonylamino)propylcarbamoyloxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[3-(2-prop-2-enoyloxyethoxycarbonylamino)propylcarbamoyloxy]ethyl prop-2-enoate is C=CC(=O)OCCOC(=O)NCCCNC(=O)OCCOC(=O)C=C.
What is the InChIKey of 2-[3-(2-prop-2-enoyloxyethoxycarbonylamino)propylcarbamoyloxy]ethyl prop-2-enoate?
The InChIKey is NXYXFUIDQHUEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O8/c1-3-12(18)22-8-10-24-14(20)16-6-5-7-17-15(21)25-11-9-23-13(19)4-2/h3-4H,1-2,5-11H2,(H,16,20)(H,17,21).
What are the key properties of 2-[3-(2-prop-2-enoyloxyethoxycarbonylamino)propylcarbamoyloxy]ethyl prop-2-enoate?
2-[3-(2-prop-2-enoyloxyethoxycarbonylamino)propylcarbamoyloxy]ethyl prop-2-enoate has a molecular weight of 358.35 g/mol, XLogP of 0.29, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-prop-2-enoyloxyethoxycarbonylamino)propylcarbamoyloxy]ethyl prop-2-enoate is sourced from PubChem (CID 87915817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).