N-[1-[acetyl(ethenyl)amino]butyl]-N-ethenylacetamide

C12H20N2O2 — CID 57162780

IUPACN-[1-[acetyl(ethenyl)amino]butyl]-N-ethenylacetamide
SMILESC=CN(C(C)=O)C(CCC)N(C=C)C(C)=O
InChIInChI=1S/C12H20N2O2/c1-6-9-12(13(7-2)10(4)15)14(8-3)11(5)16/h7-8,12H,2-3,6,9H2,1,4-5H3
InChIKeyQNNZJNHRNUBBCH-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.10
Rot. Bonds6

About N-[1-[acetyl(ethenyl)amino]butyl]-N-ethenylacetamide

N-[1-[acetyl(ethenyl)amino]butyl]-N-ethenylacetamide (PubChem CID 57162780) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-[1-[acetyl(ethenyl)amino]butyl]-N-ethenylacetamide.

Molecular Properties

Compound NameN-[1-[acetyl(ethenyl)amino]butyl]-N-ethenylacetamide
PubChem CID57162780
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-[1-[acetyl(ethenyl)amino]butyl]-N-ethenylacetamide
SMILESC=CN(C(C)=O)C(CCC)N(C=C)C(C)=O
InChIInChI=1S/C12H20N2O2/c1-6-9-12(13(7-2)10(4)15)14(8-3)11(5)16/h7-8,12H,2-3,6,9H2,1,4-5H3
InChIKeyQNNZJNHRNUBBCH-UHFFFAOYSA-N
XLogP2.10
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[acetyl(ethenyl)amino]butyl]-N-ethenylacetamide?
The IUPAC name of N-[1-[acetyl(ethenyl)amino]butyl]-N-ethenylacetamide (CID 57162780) is N-[1-[acetyl(ethenyl)amino]butyl]-N-ethenylacetamide.
What is the SMILES notation for N-[1-[acetyl(ethenyl)amino]butyl]-N-ethenylacetamide?
The canonical SMILES for N-[1-[acetyl(ethenyl)amino]butyl]-N-ethenylacetamide is C=CN(C(C)=O)C(CCC)N(C=C)C(C)=O.
What is the InChIKey of N-[1-[acetyl(ethenyl)amino]butyl]-N-ethenylacetamide?
The InChIKey is QNNZJNHRNUBBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-6-9-12(13(7-2)10(4)15)14(8-3)11(5)16/h7-8,12H,2-3,6,9H2,1,4-5H3.
What are the key properties of N-[1-[acetyl(ethenyl)amino]butyl]-N-ethenylacetamide?
N-[1-[acetyl(ethenyl)amino]butyl]-N-ethenylacetamide has a molecular weight of 224.30 g/mol, XLogP of 2.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[acetyl(ethenyl)amino]butyl]-N-ethenylacetamide is sourced from PubChem (CID 57162780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).