2-(azetidin-3-ylidene)-N-(3-hydroxy-4-methoxybutyl)propanamide

C11H20N2O3 — CID 106247430

IUPAC2-(azetidin-3-ylidene)-N-(3-hydroxy-4-methoxybutyl)propanamide
SMILESCOCC(O)CCNC(=O)C(C)=C1CNC1
InChIInChI=1S/C11H20N2O3/c1-8(9-5-12-6-9)11(15)13-4-3-10(14)7-16-2/h10,12,14H,3-7H2,1-2H3,(H,13,15)
InChIKeyYURZFADEWXDJJG-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.58
Rot. Bonds6

About 2-(azetidin-3-ylidene)-N-(3-hydroxy-4-methoxybutyl)propanamide

2-(azetidin-3-ylidene)-N-(3-hydroxy-4-methoxybutyl)propanamide (PubChem CID 106247430) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(3-hydroxy-4-methoxybutyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(3-hydroxy-4-methoxybutyl)propanamide
PubChem CID106247430
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-(azetidin-3-ylidene)-N-(3-hydroxy-4-methoxybutyl)propanamide
SMILESCOCC(O)CCNC(=O)C(C)=C1CNC1
InChIInChI=1S/C11H20N2O3/c1-8(9-5-12-6-9)11(15)13-4-3-10(14)7-16-2/h10,12,14H,3-7H2,1-2H3,(H,13,15)
InChIKeyYURZFADEWXDJJG-UHFFFAOYSA-N
XLogP-0.58
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxy-4-methoxybutyl)-3-methylbut-2-enamide
CID 103877364
N-(3-hydroxy-4-methoxybutyl)azetidine-3-carboxamide
CID 104437951
2-(azetidin-3-ylidene)-N-(4-hydroxypentyl)propanamide
CID 106134571
2-(azetidin-3-ylidene)-N-[3-(2-hydroxyethoxy)propyl]propanamide
CID 106310605
2-(azetidin-3-ylidene)-N-(4-hydroxybutyl)propanamide
CID 106842171
4-[2-(Azetidin-3-ylidene)propanoylamino]-2-hydroxybutanoic acid
CID 107836096
(2S)-4-[2-(azetidin-3-ylidene)propanoylamino]-2-hydroxybutanoic acid
CID 107836385
2-(azetidin-3-ylidene)-N-(4-propan-2-yloxybutyl)propanamide
CID 114137013
2-(azetidin-3-ylidene)-N-(3-hydroxypropyl)propanamide
CID 116674753
2-(azetidin-3-ylidene)-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide
CID 116677469
2-(azetidin-3-ylidene)-N-(2-hydroxy-3-methoxypropyl)propanamide
CID 116678034
2-(azetidin-3-ylidene)-N-(3-hydroxybutyl)propanamide
CID 116678145

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(3-hydroxy-4-methoxybutyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(3-hydroxy-4-methoxybutyl)propanamide (CID 106247430) is 2-(azetidin-3-ylidene)-N-(3-hydroxy-4-methoxybutyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(3-hydroxy-4-methoxybutyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(3-hydroxy-4-methoxybutyl)propanamide is COCC(O)CCNC(=O)C(C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(3-hydroxy-4-methoxybutyl)propanamide?
The InChIKey is YURZFADEWXDJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8(9-5-12-6-9)11(15)13-4-3-10(14)7-16-2/h10,12,14H,3-7H2,1-2H3,(H,13,15).
What are the key properties of 2-(azetidin-3-ylidene)-N-(3-hydroxy-4-methoxybutyl)propanamide?
2-(azetidin-3-ylidene)-N-(3-hydroxy-4-methoxybutyl)propanamide has a molecular weight of 228.29 g/mol, XLogP of -0.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-(3-hydroxy-4-methoxybutyl)propanamide is sourced from PubChem (CID 106247430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).