3-acetamidopropyl-dimethyl-(4-oxobutyl)azanium

C11H23N2O2+ — CID 54289687

IUPAC3-acetamidopropyl-dimethyl-(4-oxobutyl)azanium
SMILESCC(=O)NCCC[N+](C)(C)CCCC=O
InChIInChI=1S/C11H22N2O2/c1-11(15)12-7-6-9-13(2,3)8-4-5-10-14/h10H,4-9H2,1-3H3/p+1
InChIKeyWWBXZRQTOPPPQE-UHFFFAOYSA-O
MW215.32 g/mol
LogP0.57
Rot. Bonds8

About 3-acetamidopropyl-dimethyl-(4-oxobutyl)azanium

3-acetamidopropyl-dimethyl-(4-oxobutyl)azanium (PubChem CID 54289687) has the molecular formula C11H23N2O2+ and a molecular weight of 215.32 g/mol. Its IUPAC name is 3-acetamidopropyl-dimethyl-(4-oxobutyl)azanium.

Molecular Properties

Compound Name3-acetamidopropyl-dimethyl-(4-oxobutyl)azanium
PubChem CID54289687
Molecular FormulaC11H23N2O2+
Molecular Weight215.32 g/mol
Exact Mass215.18
IUPAC Name3-acetamidopropyl-dimethyl-(4-oxobutyl)azanium
SMILESCC(=O)NCCC[N+](C)(C)CCCC=O
InChIInChI=1S/C11H22N2O2/c1-11(15)12-7-6-9-13(2,3)8-4-5-10-14/h10H,4-9H2,1-3H3/p+1
InChIKeyWWBXZRQTOPPPQE-UHFFFAOYSA-O
XLogP0.57
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

3-acetamidopropyl-dimethyl-(3-trimethoxysilylpropyl)azanium
CID 91556508
N-(3-acetamidopropyl)acetamide
CID 5147555
N-[4-(4-acetamidobutylamino)butyl]acetamide
CID 10332037
N-[2-(3-oxopropoxy)ethyl]acetamide
CID 158723077
N-[3-[bis(3-acetamidopropyl)phosphanyl]propyl]acetamide
CID 138631206
N-(4-oxobutyl)carbamate
CID 18436941
dimethyl-[3-(octadecanoylamino)propyl]-octadecylazanium
CID 22757067
N-[4-(4-acetamidobutylcarbamoylamino)butyl]acetamide
CID 144980902
N-[2-(prop-1-en-2-ylamino)ethyl]acetamide
CID 21030566
3-(dodecanoylamino)propyl-dimethyl-tetradecylazanium chloride
CID 88804757
4-[dimethyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]azaniumyl]butyl-dimethyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]azanium
CID 89125082
dimethyl-(3-oxobutyl)-(3-oxopropyl)azanium;methane
CID 162204200

Frequently Asked Questions

What is the IUPAC name of 3-acetamidopropyl-dimethyl-(4-oxobutyl)azanium?
The IUPAC name of 3-acetamidopropyl-dimethyl-(4-oxobutyl)azanium (CID 54289687) is 3-acetamidopropyl-dimethyl-(4-oxobutyl)azanium.
What is the SMILES notation for 3-acetamidopropyl-dimethyl-(4-oxobutyl)azanium?
The canonical SMILES for 3-acetamidopropyl-dimethyl-(4-oxobutyl)azanium is CC(=O)NCCC[N+](C)(C)CCCC=O.
What is the InChIKey of 3-acetamidopropyl-dimethyl-(4-oxobutyl)azanium?
The InChIKey is WWBXZRQTOPPPQE-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H22N2O2/c1-11(15)12-7-6-9-13(2,3)8-4-5-10-14/h10H,4-9H2,1-3H3/p+1.
What are the key properties of 3-acetamidopropyl-dimethyl-(4-oxobutyl)azanium?
3-acetamidopropyl-dimethyl-(4-oxobutyl)azanium has a molecular weight of 215.32 g/mol, XLogP of 0.57, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamidopropyl-dimethyl-(4-oxobutyl)azanium is sourced from PubChem (CID 54289687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).