1-(non-8-enoylamino)propan-2-yl prop-2-enoate

C15H25NO3 — CID 143060920

IUPAC1-(non-8-enoylamino)propan-2-yl prop-2-enoate
SMILESC=CCCCCCCC(=O)NCC(C)OC(=O)C=C
InChIInChI=1S/C15H25NO3/c1-4-6-7-8-9-10-11-14(17)16-12-13(3)19-15(18)5-2/h4-5,13H,1-2,6-12H2,3H3,(H,16,17)
InChIKeyFORSQRZKBMFTDT-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.75
Rot. Bonds11

About 1-(non-8-enoylamino)propan-2-yl prop-2-enoate

1-(non-8-enoylamino)propan-2-yl prop-2-enoate (PubChem CID 143060920) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(non-8-enoylamino)propan-2-yl prop-2-enoate.

Molecular Properties

Compound Name1-(non-8-enoylamino)propan-2-yl prop-2-enoate
PubChem CID143060920
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-(non-8-enoylamino)propan-2-yl prop-2-enoate
SMILESC=CCCCCCCC(=O)NCC(C)OC(=O)C=C
InChIInChI=1S/C15H25NO3/c1-4-6-7-8-9-10-11-14(17)16-12-13(3)19-15(18)5-2/h4-5,13H,1-2,6-12H2,3H3,(H,16,17)
InChIKeyFORSQRZKBMFTDT-UHFFFAOYSA-N
XLogP2.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Butenedioic acid (2Z)-, 1-[1-methyl-2-[[(9Z)-1-oxo-9-octadecen-1-yl]amino]ethyl] ester
CID 6437276
2-Butenedioic acid (2Z)-, 1-(2-((1-oxo-10-undecen-1-yl)amino)ethyl) ester
CID 6450467
2-(Dodecanoylamino)ethyl prop-2-enoate
CID 101646574
(3S)-18-ethenyl-3-methyl-1-oxa-4-azacyclooctadecane-2,5-dione
CID 134959448
1,3-Di(undec-10-enamido)propan-2-yl butyrate
CID 156612768
4-[1-(Octadec-9-enoylamino)propan-2-yloxy]-4-oxobut-2-enoic acid
CID 106838
4-Oxo-4-[2-(undec-10-enoylamino)ethoxy]but-2-enoic acid
CID 3086026
(2Z)-4-({1-[(9Z)-octadec-9-enamido]propan-2-yl}oxy)-4-oxobut-2-enoic acid
CID 102269068
(Z)-4-[1-(octadec-9-enoylamino)propan-2-yloxy]-4-oxobut-2-enoic acid
CID 139594284
N-acryloxyethylundecylamide
CID 21196858
Methyl 2-(undec-10-enoylamino)acetate
CID 57554451
2-(Undec-10-enoylamino)ethyl prop-2-enoate
CID 58913214

Frequently Asked Questions

What is the IUPAC name of 1-(non-8-enoylamino)propan-2-yl prop-2-enoate?
The IUPAC name of 1-(non-8-enoylamino)propan-2-yl prop-2-enoate (CID 143060920) is 1-(non-8-enoylamino)propan-2-yl prop-2-enoate.
What is the SMILES notation for 1-(non-8-enoylamino)propan-2-yl prop-2-enoate?
The canonical SMILES for 1-(non-8-enoylamino)propan-2-yl prop-2-enoate is C=CCCCCCCC(=O)NCC(C)OC(=O)C=C.
What is the InChIKey of 1-(non-8-enoylamino)propan-2-yl prop-2-enoate?
The InChIKey is FORSQRZKBMFTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-4-6-7-8-9-10-11-14(17)16-12-13(3)19-15(18)5-2/h4-5,13H,1-2,6-12H2,3H3,(H,16,17).
What are the key properties of 1-(non-8-enoylamino)propan-2-yl prop-2-enoate?
1-(non-8-enoylamino)propan-2-yl prop-2-enoate has a molecular weight of 267.37 g/mol, XLogP of 2.75, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(non-8-enoylamino)propan-2-yl prop-2-enoate is sourced from PubChem (CID 143060920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).