ethanol;4-hydroxy-N-propylbutanamide;titanium

C13H32NO5Ti- — CID 87948970

IUPACethanol;4-hydroxy-N-propylbutanamide;titanium
SMILESCCO.CCO.CCO.[CH2-]CCNC(=O)CCCO.[Ti]
InChIInChI=1S/C7H14NO2.3C2H6O.Ti/c1-2-5-8-7(10)4-3-6-9;3*1-2-3;/h9H,1-6H2,(H,8,10);3*3H,2H2,1H3;/q-1;;;;
InChIKeyLMESBCBLYPCTSR-UHFFFAOYSA-N
MW330.27 g/mol
LogP0.09
Rot. Bonds5

About ethanol;4-hydroxy-N-propylbutanamide;titanium

ethanol;4-hydroxy-N-propylbutanamide;titanium (PubChem CID 87948970) has the molecular formula C13H32NO5Ti- and a molecular weight of 330.27 g/mol. Its IUPAC name is ethanol;4-hydroxy-N-propylbutanamide;titanium.

Molecular Properties

Compound Nameethanol;4-hydroxy-N-propylbutanamide;titanium
PubChem CID87948970
Molecular FormulaC13H32NO5Ti-
Molecular Weight330.27 g/mol
Exact Mass330.18
IUPAC Nameethanol;4-hydroxy-N-propylbutanamide;titanium
SMILESCCO.CCO.CCO.[CH2-]CCNC(=O)CCCO.[Ti]
InChIInChI=1S/C7H14NO2.3C2H6O.Ti/c1-2-5-8-7(10)4-3-6-9;3*1-2-3;/h9H,1-6H2,(H,8,10);3*3H,2H2,1H3;/q-1;;;;
InChIKeyLMESBCBLYPCTSR-UHFFFAOYSA-N
XLogP0.09
TPSA110.02 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 50.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-N-[2-(4-hydroxybutanoylamino)ethyl]butanamide
CID 95562402
4-hydroxy-N-[4-(4-hydroxybutanoylamino)butyl]butanamide
CID 6611551
4-hydroxy-N-tetracosylbutanamide
CID 141048355
N-heptadecyl-4-hydroxybutanamide
CID 100934326
N-(3-hydroxypropyl)docosanamide
CID 87200048
N-[2-(dimethylamino)ethyl]-4-hydroxybutanamide
CID 79002121
N-butyl-6-hydroxyhexanamide;ethane
CID 145076581
6-hydroxy-N-tetradecylhexanamide
CID 20542961
18-hydroxy-N-octadecyloctadecanamide
CID 10984479
4-hydroxy-N-(3-methylsulfanylpropyl)butanamide
CID 79191399
4-hydroxy-N-(2-methylsulfonylethyl)butanamide
CID 79192327
N-(2-acetamidoethyl)-5-hydroxypentanamide
CID 79199978

Frequently Asked Questions

What is the IUPAC name of ethanol;4-hydroxy-N-propylbutanamide;titanium?
The IUPAC name of ethanol;4-hydroxy-N-propylbutanamide;titanium (CID 87948970) is ethanol;4-hydroxy-N-propylbutanamide;titanium.
What is the SMILES notation for ethanol;4-hydroxy-N-propylbutanamide;titanium?
The canonical SMILES for ethanol;4-hydroxy-N-propylbutanamide;titanium is CCO.CCO.CCO.[CH2-]CCNC(=O)CCCO.[Ti].
What is the InChIKey of ethanol;4-hydroxy-N-propylbutanamide;titanium?
The InChIKey is LMESBCBLYPCTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14NO2.3C2H6O.Ti/c1-2-5-8-7(10)4-3-6-9;3*1-2-3;/h9H,1-6H2,(H,8,10);3*3H,2H2,1H3;/q-1;;;;.
What are the key properties of ethanol;4-hydroxy-N-propylbutanamide;titanium?
ethanol;4-hydroxy-N-propylbutanamide;titanium has a molecular weight of 330.27 g/mol, XLogP of 0.09, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;4-hydroxy-N-propylbutanamide;titanium is sourced from PubChem (CID 87948970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).