undecyl 2-oxo-2-(prop-2-enylamino)acetate

C16H29NO3 — CID 6421346

IUPACundecyl 2-oxo-2-(prop-2-enylamino)acetate
SMILESC=CCNC(=O)C(=O)OCCCCCCCCCCC
InChIInChI=1S/C16H29NO3/c1-3-5-6-7-8-9-10-11-12-14-20-16(19)15(18)17-13-4-2/h4H,2-3,5-14H2,1H3,(H,17,18)
InChIKeyMWQQWJGPJLGFMA-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.36
Rot. Bonds12

About undecyl 2-oxo-2-(prop-2-enylamino)acetate

undecyl 2-oxo-2-(prop-2-enylamino)acetate (PubChem CID 6421346) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is undecyl 2-oxo-2-(prop-2-enylamino)acetate.

Molecular Properties

Compound Nameundecyl 2-oxo-2-(prop-2-enylamino)acetate
PubChem CID6421346
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Nameundecyl 2-oxo-2-(prop-2-enylamino)acetate
SMILESC=CCNC(=O)C(=O)OCCCCCCCCCCC
InChIInChI=1S/C16H29NO3/c1-3-5-6-7-8-9-10-11-12-14-20-16(19)15(18)17-13-4-2/h4H,2-3,5-14H2,1H3,(H,17,18)
InChIKeyMWQQWJGPJLGFMA-UHFFFAOYSA-N
XLogP3.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze undecyl 2-oxo-2-(prop-2-enylamino)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-Oxo-2-(prop-2-enylamino)ethyl] dodecanoate
CID 178298075
[2-Oxo-2-(prop-2-enylamino)ethyl] octanoate
CID 178306607
Oxalic acid, monoamide, N-allyl-, pentyl ester
CID 6420267
Oxalic acid, monoamide, N-allyl-, isohexyl ester
CID 6420239
Oxalic acid, monoamide, N-allyl-, hexyl ester
CID 6420268
Oxalic acid, monoamide, N-allyl-, nonyl ester
CID 6420269
Oxalic acid, monoamide, N-allyl-, octyl ester
CID 6420271
Oxalic acid, monoamide, n-propyl, undecyl ester
CID 6420321
Oxalic acid, monoamide, n-propyl, tridecyl ester
CID 6420322
Oxalic acid, monoamide, n-propyl, dodecyl ester
CID 6420329
Oxalic acid, monoamide, n-propyl, pentadecyl ester
CID 6420342
Oxalic acid, monoamide, n-propyl, octyl ester
CID 6420425

Frequently Asked Questions

What is the IUPAC name of undecyl 2-oxo-2-(prop-2-enylamino)acetate?
The IUPAC name of undecyl 2-oxo-2-(prop-2-enylamino)acetate (CID 6421346) is undecyl 2-oxo-2-(prop-2-enylamino)acetate.
What is the SMILES notation for undecyl 2-oxo-2-(prop-2-enylamino)acetate?
The canonical SMILES for undecyl 2-oxo-2-(prop-2-enylamino)acetate is C=CCNC(=O)C(=O)OCCCCCCCCCCC.
What is the InChIKey of undecyl 2-oxo-2-(prop-2-enylamino)acetate?
The InChIKey is MWQQWJGPJLGFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-3-5-6-7-8-9-10-11-12-14-20-16(19)15(18)17-13-4-2/h4H,2-3,5-14H2,1H3,(H,17,18).
What are the key properties of undecyl 2-oxo-2-(prop-2-enylamino)acetate?
undecyl 2-oxo-2-(prop-2-enylamino)acetate has a molecular weight of 283.41 g/mol, XLogP of 3.36, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for undecyl 2-oxo-2-(prop-2-enylamino)acetate is sourced from PubChem (CID 6421346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).