N-[4-[acetyl(prop-2-enyl)amino]butyl]acetamide

C11H20N2O2 — CID 550749

IUPACN-[4-[acetyl(prop-2-enyl)amino]butyl]acetamide
SMILESC=CCN(CCCCNC(C)=O)C(C)=O
InChIInChI=1S/C11H20N2O2/c1-4-8-13(11(3)15)9-6-5-7-12-10(2)14/h4H,1,5-9H2,2-3H3,(H,12,14)
InChIKeyQSWYRYJRNKDVMO-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.94
Rot. Bonds7

About N-[4-[acetyl(prop-2-enyl)amino]butyl]acetamide

N-[4-[acetyl(prop-2-enyl)amino]butyl]acetamide (PubChem CID 550749) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-[4-[acetyl(prop-2-enyl)amino]butyl]acetamide.

Molecular Properties

Compound NameN-[4-[acetyl(prop-2-enyl)amino]butyl]acetamide
PubChem CID550749
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-[4-[acetyl(prop-2-enyl)amino]butyl]acetamide
SMILESC=CCN(CCCCNC(C)=O)C(C)=O
InChIInChI=1S/C11H20N2O2/c1-4-8-13(11(3)15)9-6-5-7-12-10(2)14/h4H,1,5-9H2,2-3H3,(H,12,14)
InChIKeyQSWYRYJRNKDVMO-UHFFFAOYSA-N
XLogP0.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-[acetyl(prop-2-enyl)amino]butyl]acetamide 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

(Acrylamidopropyl)trimethylammonium chloride
CID 170750
N,N-Dimethylaminopropyl acrylamide
CID 77452
Prop-2-enamide;trimethyl-[3-(prop-2-enoylamino)propyl]azanium;chloride
CID 156322
Trimethyl-[3-(prop-2-enoylamino)propyl]azanium
CID 156323
N-allyl butyramide
CID 4257022
3-(Acryloylamino)propyltrimethylammonium chloride
CID 155928684
N,N'-(Butane-1,4-diyl)diacrylamide
CID 11542941
(3-Acrylamidopropyl)-triethyl ammonium chloride
CID 21902290
N-methyl-N-[3-(methylamino)propyl]prop-2-enamide
CID 22239202
Trimethyl acrylamidopropyl ammonium iodide
CID 22247469
N-[3-(dimethylamino)propyl]acrylamide acrylamide
CID 86757471
N,N-dimethylprop-2-enamide;N-propan-2-ylprop-2-enamide
CID 88641782

Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(prop-2-enyl)amino]butyl]acetamide?
The IUPAC name of N-[4-[acetyl(prop-2-enyl)amino]butyl]acetamide (CID 550749) is N-[4-[acetyl(prop-2-enyl)amino]butyl]acetamide.
What is the SMILES notation for N-[4-[acetyl(prop-2-enyl)amino]butyl]acetamide?
The canonical SMILES for N-[4-[acetyl(prop-2-enyl)amino]butyl]acetamide is C=CCN(CCCCNC(C)=O)C(C)=O.
What is the InChIKey of N-[4-[acetyl(prop-2-enyl)amino]butyl]acetamide?
The InChIKey is QSWYRYJRNKDVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-4-8-13(11(3)15)9-6-5-7-12-10(2)14/h4H,1,5-9H2,2-3H3,(H,12,14).
What are the key properties of N-[4-[acetyl(prop-2-enyl)amino]butyl]acetamide?
N-[4-[acetyl(prop-2-enyl)amino]butyl]acetamide has a molecular weight of 212.29 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl(prop-2-enyl)amino]butyl]acetamide is sourced from PubChem (CID 550749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).