chloroethane;N-[2-(diethylamino)ethyl]prop-2-enamide

C11H23ClN2O — CID 87588027

IUPACchloroethane;N-[2-(diethylamino)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCN(CC)CC.CCCl
InChIInChI=1S/C9H18N2O.C2H5Cl/c1-4-9(12)10-7-8-11(5-2)6-3;1-2-3/h4H,1,5-8H2,2-3H3,(H,10,12);2H2,1H3
InChIKeyOULMRFSMZVWKME-UHFFFAOYSA-N
MW234.77 g/mol
LogP1.88
Rot. Bonds6

About chloroethane;N-[2-(diethylamino)ethyl]prop-2-enamide

chloroethane;N-[2-(diethylamino)ethyl]prop-2-enamide (PubChem CID 87588027) has the molecular formula C11H23ClN2O and a molecular weight of 234.77 g/mol. Its IUPAC name is chloroethane;N-[2-(diethylamino)ethyl]prop-2-enamide.

Molecular Properties

Compound Namechloroethane;N-[2-(diethylamino)ethyl]prop-2-enamide
PubChem CID87588027
Molecular FormulaC11H23ClN2O
Molecular Weight234.77 g/mol
Exact Mass234.15
IUPAC Namechloroethane;N-[2-(diethylamino)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCN(CC)CC.CCCl
InChIInChI=1S/C9H18N2O.C2H5Cl/c1-4-9(12)10-7-8-11(5-2)6-3;1-2-3/h4H,1,5-8H2,2-3H3,(H,10,12);2H2,1H3
InChIKeyOULMRFSMZVWKME-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.77
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloroethane;N-[2-(diethylamino)ethyl]prop-2-enamide?
The IUPAC name of chloroethane;N-[2-(diethylamino)ethyl]prop-2-enamide (CID 87588027) is chloroethane;N-[2-(diethylamino)ethyl]prop-2-enamide.
What is the SMILES notation for chloroethane;N-[2-(diethylamino)ethyl]prop-2-enamide?
The canonical SMILES for chloroethane;N-[2-(diethylamino)ethyl]prop-2-enamide is C=CC(=O)NCCN(CC)CC.CCCl.
What is the InChIKey of chloroethane;N-[2-(diethylamino)ethyl]prop-2-enamide?
The InChIKey is OULMRFSMZVWKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.C2H5Cl/c1-4-9(12)10-7-8-11(5-2)6-3;1-2-3/h4H,1,5-8H2,2-3H3,(H,10,12);2H2,1H3.
What are the key properties of chloroethane;N-[2-(diethylamino)ethyl]prop-2-enamide?
chloroethane;N-[2-(diethylamino)ethyl]prop-2-enamide has a molecular weight of 234.77 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloroethane;N-[2-(diethylamino)ethyl]prop-2-enamide is sourced from PubChem (CID 87588027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).