2-(undec-10-enoylamino)ethyl prop-2-enoate

C16H27NO3 — CID 58913214

IUPAC2-(undec-10-enoylamino)ethyl prop-2-enoate
SMILESC=CCCCCCCCCC(=O)NCCOC(=O)C=C
InChIInChI=1S/C16H27NO3/c1-3-5-6-7-8-9-10-11-12-15(18)17-13-14-20-16(19)4-2/h3-4H,1-2,5-14H2,(H,17,18)
InChIKeyBIKDECULAYTJSF-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.14
Rot. Bonds13

About 2-(undec-10-enoylamino)ethyl prop-2-enoate

2-(undec-10-enoylamino)ethyl prop-2-enoate (PubChem CID 58913214) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(undec-10-enoylamino)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(undec-10-enoylamino)ethyl prop-2-enoate
PubChem CID58913214
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name2-(undec-10-enoylamino)ethyl prop-2-enoate
SMILESC=CCCCCCCCCC(=O)NCCOC(=O)C=C
InChIInChI=1S/C16H27NO3/c1-3-5-6-7-8-9-10-11-12-15(18)17-13-14-20-16(19)4-2/h3-4H,1-2,5-14H2,(H,17,18)
InChIKeyBIKDECULAYTJSF-UHFFFAOYSA-N
XLogP3.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.14
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-Acetoxyethyl) oleamide
CID 88409109
2-Butenedioic acid (2Z)-, 1-(2-((1-oxo-10-undecen-1-yl)amino)ethyl) ester
CID 6450467
2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctanoylamino)ethyl prop-2-enoate
CID 54521424
2-(Dodecanoylamino)ethyl prop-2-enoate
CID 101646574
4-Oxo-4-[2-(undec-10-enoylamino)ethoxy]but-2-enoic acid
CID 3086026
N-acryloxyethylundecylamide
CID 21196858
2-(Octadec-9-enoylamino)ethyl acetate
CID 53799355
2-(Docos-13-enoylamino)ethyl acetate
CID 54143092
2-(Octadecanoylamino)ethyl prop-2-enoate
CID 85838031
2-aminoethyl 2-methylideneheptanoate;N-octylprop-2-enamide
CID 87274063
2-(Butylamino)ethyl 2-methylprop-2-enoate;2-methylidenedecanamide;prop-2-enoic acid
CID 87381903
2-(3-Oxooctanoylamino)ethyl prop-2-enoate
CID 87862166

Frequently Asked Questions

What is the IUPAC name of 2-(undec-10-enoylamino)ethyl prop-2-enoate?
The IUPAC name of 2-(undec-10-enoylamino)ethyl prop-2-enoate (CID 58913214) is 2-(undec-10-enoylamino)ethyl prop-2-enoate.
What is the SMILES notation for 2-(undec-10-enoylamino)ethyl prop-2-enoate?
The canonical SMILES for 2-(undec-10-enoylamino)ethyl prop-2-enoate is C=CCCCCCCCCC(=O)NCCOC(=O)C=C.
What is the InChIKey of 2-(undec-10-enoylamino)ethyl prop-2-enoate?
The InChIKey is BIKDECULAYTJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-3-5-6-7-8-9-10-11-12-15(18)17-13-14-20-16(19)4-2/h3-4H,1-2,5-14H2,(H,17,18).
What are the key properties of 2-(undec-10-enoylamino)ethyl prop-2-enoate?
2-(undec-10-enoylamino)ethyl prop-2-enoate has a molecular weight of 281.40 g/mol, XLogP of 3.14, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(undec-10-enoylamino)ethyl prop-2-enoate is sourced from PubChem (CID 58913214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).