3-(dibutylamino)propanamide;ethane;prop-2-enoic acid

C16H34N2O3 — CID 145074740

IUPAC3-(dibutylamino)propanamide;ethane;prop-2-enoic acid
SMILESC=CC(=O)O.CC.CCCCN(CCCC)CCC(N)=O
InChIInChI=1S/C11H24N2O.C3H4O2.C2H6/c1-3-5-8-13(9-6-4-2)10-7-11(12)14;1-2-3(4)5;1-2/h3-10H2,1-2H3,(H2,12,14);2H,1H2,(H,4,5);1-2H3
InChIKeyOLFXFAOOQNDGRE-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.05
Rot. Bonds10

About 3-(dibutylamino)propanamide;ethane;prop-2-enoic acid

3-(dibutylamino)propanamide;ethane;prop-2-enoic acid (PubChem CID 145074740) has the molecular formula C16H34N2O3 and a molecular weight of 302.46 g/mol. Its IUPAC name is 3-(dibutylamino)propanamide;ethane;prop-2-enoic acid.

Molecular Properties

Compound Name3-(dibutylamino)propanamide;ethane;prop-2-enoic acid
PubChem CID145074740
Molecular FormulaC16H34N2O3
Molecular Weight302.46 g/mol
Exact Mass302.26
IUPAC Name3-(dibutylamino)propanamide;ethane;prop-2-enoic acid
SMILESC=CC(=O)O.CC.CCCCN(CCCC)CCC(N)=O
InChIInChI=1S/C11H24N2O.C3H4O2.C2H6/c1-3-5-8-13(9-6-4-2)10-7-11(12)14;1-2-3(4)5;1-2/h3-10H2,1-2H3,(H2,12,14);2H,1H2,(H,4,5);1-2H3
InChIKeyOLFXFAOOQNDGRE-UHFFFAOYSA-N
XLogP3.05
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(dibutylamino)propanamide;ethane;prop-2-enoic acid?
The IUPAC name of 3-(dibutylamino)propanamide;ethane;prop-2-enoic acid (CID 145074740) is 3-(dibutylamino)propanamide;ethane;prop-2-enoic acid.
What is the SMILES notation for 3-(dibutylamino)propanamide;ethane;prop-2-enoic acid?
The canonical SMILES for 3-(dibutylamino)propanamide;ethane;prop-2-enoic acid is C=CC(=O)O.CC.CCCCN(CCCC)CCC(N)=O.
What is the InChIKey of 3-(dibutylamino)propanamide;ethane;prop-2-enoic acid?
The InChIKey is OLFXFAOOQNDGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O.C3H4O2.C2H6/c1-3-5-8-13(9-6-4-2)10-7-11(12)14;1-2-3(4)5;1-2/h3-10H2,1-2H3,(H2,12,14);2H,1H2,(H,4,5);1-2H3.
What are the key properties of 3-(dibutylamino)propanamide;ethane;prop-2-enoic acid?
3-(dibutylamino)propanamide;ethane;prop-2-enoic acid has a molecular weight of 302.46 g/mol, XLogP of 3.05, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dibutylamino)propanamide;ethane;prop-2-enoic acid is sourced from PubChem (CID 145074740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).