(2R)-2-chloro-N-ethyl-N-(oxan-4-yl)propanamide

C10H18ClNO2 — CID 129498676

IUPAC(2R)-2-chloro-N-ethyl-N-(oxan-4-yl)propanamide
SMILESCCN(C(=O)[C@@H](C)Cl)C1CCOCC1
InChIInChI=1S/C10H18ClNO2/c1-3-12(10(13)8(2)11)9-4-6-14-7-5-9/h8-9H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyIKRMOYFYSABXDR-MRVPVSSYSA-N
MW219.71 g/mol
LogP1.64
Rot. Bonds3

About (2R)-2-chloro-N-ethyl-N-(oxan-4-yl)propanamide

(2R)-2-chloro-N-ethyl-N-(oxan-4-yl)propanamide (PubChem CID 129498676) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is (2R)-2-chloro-N-ethyl-N-(oxan-4-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-chloro-N-ethyl-N-(oxan-4-yl)propanamide
PubChem CID129498676
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC Name(2R)-2-chloro-N-ethyl-N-(oxan-4-yl)propanamide
SMILESCCN(C(=O)[C@@H](C)Cl)C1CCOCC1
InChIInChI=1S/C10H18ClNO2/c1-3-12(10(13)8(2)11)9-4-6-14-7-5-9/h8-9H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyIKRMOYFYSABXDR-MRVPVSSYSA-N
XLogP1.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-2-chloro-N-ethyl-N-(oxan-4-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-N-ethyl-N-(oxan-4-yl)propanamide?
The IUPAC name of (2R)-2-chloro-N-ethyl-N-(oxan-4-yl)propanamide (CID 129498676) is (2R)-2-chloro-N-ethyl-N-(oxan-4-yl)propanamide.
What is the SMILES notation for (2R)-2-chloro-N-ethyl-N-(oxan-4-yl)propanamide?
The canonical SMILES for (2R)-2-chloro-N-ethyl-N-(oxan-4-yl)propanamide is CCN(C(=O)[C@@H](C)Cl)C1CCOCC1.
What is the InChIKey of (2R)-2-chloro-N-ethyl-N-(oxan-4-yl)propanamide?
The InChIKey is IKRMOYFYSABXDR-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H18ClNO2/c1-3-12(10(13)8(2)11)9-4-6-14-7-5-9/h8-9H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of (2R)-2-chloro-N-ethyl-N-(oxan-4-yl)propanamide?
(2R)-2-chloro-N-ethyl-N-(oxan-4-yl)propanamide has a molecular weight of 219.71 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-N-ethyl-N-(oxan-4-yl)propanamide is sourced from PubChem (CID 129498676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).