11-[ethyl(prop-2-enoyl)amino]undecanoic acid

C16H29NO3 — CID 10779353

IUPAC11-[ethyl(prop-2-enoyl)amino]undecanoic acid
SMILESC=CC(=O)N(CC)CCCCCCCCCCC(=O)O
InChIInChI=1S/C16H29NO3/c1-3-15(18)17(4-2)14-12-10-8-6-5-7-9-11-13-16(19)20/h3H,1,4-14H2,2H3,(H,19,20)
InChIKeyLXUNTNBEPIPANO-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.62
Rot. Bonds13

About 11-[ethyl(prop-2-enoyl)amino]undecanoic acid

11-[ethyl(prop-2-enoyl)amino]undecanoic acid (PubChem CID 10779353) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 11-[ethyl(prop-2-enoyl)amino]undecanoic acid.

Molecular Properties

Compound Name11-[ethyl(prop-2-enoyl)amino]undecanoic acid
PubChem CID10779353
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name11-[ethyl(prop-2-enoyl)amino]undecanoic acid
SMILESC=CC(=O)N(CC)CCCCCCCCCCC(=O)O
InChIInChI=1S/C16H29NO3/c1-3-15(18)17(4-2)14-12-10-8-6-5-7-9-11-13-16(19)20/h3H,1,4-14H2,2H3,(H,19,20)
InChIKeyLXUNTNBEPIPANO-UHFFFAOYSA-N
XLogP3.62
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11-[ethyl(prop-2-enoyl)amino]undecanoic acid?
The IUPAC name of 11-[ethyl(prop-2-enoyl)amino]undecanoic acid (CID 10779353) is 11-[ethyl(prop-2-enoyl)amino]undecanoic acid.
What is the SMILES notation for 11-[ethyl(prop-2-enoyl)amino]undecanoic acid?
The canonical SMILES for 11-[ethyl(prop-2-enoyl)amino]undecanoic acid is C=CC(=O)N(CC)CCCCCCCCCCC(=O)O.
What is the InChIKey of 11-[ethyl(prop-2-enoyl)amino]undecanoic acid?
The InChIKey is LXUNTNBEPIPANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-3-15(18)17(4-2)14-12-10-8-6-5-7-9-11-13-16(19)20/h3H,1,4-14H2,2H3,(H,19,20).
What are the key properties of 11-[ethyl(prop-2-enoyl)amino]undecanoic acid?
11-[ethyl(prop-2-enoyl)amino]undecanoic acid has a molecular weight of 283.41 g/mol, XLogP of 3.62, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[ethyl(prop-2-enoyl)amino]undecanoic acid is sourced from PubChem (CID 10779353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).