2-(butylamino)ethyl 2-methylprop-2-enoate;2-methylidenedecanamide;prop-2-enoic acid

C24H44N2O5 — CID 87381903

IUPAC2-(butylamino)ethyl 2-methylprop-2-enoate;2-methylidenedecanamide;prop-2-enoic acid
SMILESC=C(C)C(=O)OCCNCCCC.C=C(CCCCCCCC)C(N)=O.C=CC(=O)O
InChIInChI=1S/C11H21NO.C10H19NO2.C3H4O2/c1-3-4-5-6-7-8-9-10(2)11(12)13;1-4-5-6-11-7-8-13-10(12)9(2)3;1-2-3(4)5/h2-9H2,1H3,(H2,12,13);11H,2,4-8H2,1,3H3;2H,1H2,(H,4,5)
InChIKeyAUPQLTZZQNSZKT-UHFFFAOYSA-N
MW440.63 g/mol
LogP4.53
Rot. Bonds16

About 2-(butylamino)ethyl 2-methylprop-2-enoate;2-methylidenedecanamide;prop-2-enoic acid

2-(butylamino)ethyl 2-methylprop-2-enoate;2-methylidenedecanamide;prop-2-enoic acid (PubChem CID 87381903) has the molecular formula C24H44N2O5 and a molecular weight of 440.63 g/mol. Its IUPAC name is 2-(butylamino)ethyl 2-methylprop-2-enoate;2-methylidenedecanamide;prop-2-enoic acid.

Molecular Properties

Compound Name2-(butylamino)ethyl 2-methylprop-2-enoate;2-methylidenedecanamide;prop-2-enoic acid
PubChem CID87381903
Molecular FormulaC24H44N2O5
Molecular Weight440.63 g/mol
Exact Mass440.33
IUPAC Name2-(butylamino)ethyl 2-methylprop-2-enoate;2-methylidenedecanamide;prop-2-enoic acid
SMILESC=C(C)C(=O)OCCNCCCC.C=C(CCCCCCCC)C(N)=O.C=CC(=O)O
InChIInChI=1S/C11H21NO.C10H19NO2.C3H4O2/c1-3-4-5-6-7-8-9-10(2)11(12)13;1-4-5-6-11-7-8-13-10(12)9(2)3;1-2-3(4)5/h2-9H2,1H3,(H2,12,13);11H,2,4-8H2,1,3H3;2H,1H2,(H,4,5)
InChIKeyAUPQLTZZQNSZKT-UHFFFAOYSA-N
XLogP4.53
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.63
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 2-(butylamino)ethyl 2-methylprop-2-enoate;2-methylidenedecanamide;prop-2-enoic acid?
The IUPAC name of 2-(butylamino)ethyl 2-methylprop-2-enoate;2-methylidenedecanamide;prop-2-enoic acid (CID 87381903) is 2-(butylamino)ethyl 2-methylprop-2-enoate;2-methylidenedecanamide;prop-2-enoic acid.
What is the SMILES notation for 2-(butylamino)ethyl 2-methylprop-2-enoate;2-methylidenedecanamide;prop-2-enoic acid?
The canonical SMILES for 2-(butylamino)ethyl 2-methylprop-2-enoate;2-methylidenedecanamide;prop-2-enoic acid is C=C(C)C(=O)OCCNCCCC.C=C(CCCCCCCC)C(N)=O.C=CC(=O)O.
What is the InChIKey of 2-(butylamino)ethyl 2-methylprop-2-enoate;2-methylidenedecanamide;prop-2-enoic acid?
The InChIKey is AUPQLTZZQNSZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO.C10H19NO2.C3H4O2/c1-3-4-5-6-7-8-9-10(2)11(12)13;1-4-5-6-11-7-8-13-10(12)9(2)3;1-2-3(4)5/h2-9H2,1H3,(H2,12,13);11H,2,4-8H2,1,3H3;2H,1H2,(H,4,5).
What are the key properties of 2-(butylamino)ethyl 2-methylprop-2-enoate;2-methylidenedecanamide;prop-2-enoic acid?
2-(butylamino)ethyl 2-methylprop-2-enoate;2-methylidenedecanamide;prop-2-enoic acid has a molecular weight of 440.63 g/mol, XLogP of 4.53, 16 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)ethyl 2-methylprop-2-enoate;2-methylidenedecanamide;prop-2-enoic acid is sourced from PubChem (CID 87381903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).