N-[2-(3-chlorophenoxy)ethyl]-N-methylprop-2-enamide

C12H14ClNO2 — CID 60953888

IUPACN-[2-(3-chlorophenoxy)ethyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CCOc1cccc(Cl)c1
InChIInChI=1S/C12H14ClNO2/c1-3-12(15)14(2)7-8-16-11-6-4-5-10(13)9-11/h3-6,9H,1,7-8H2,2H3
InChIKeySGMOEXLCAQJQDR-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.36
Rot. Bonds5

About N-[2-(3-chlorophenoxy)ethyl]-N-methylprop-2-enamide

N-[2-(3-chlorophenoxy)ethyl]-N-methylprop-2-enamide (PubChem CID 60953888) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)ethyl]-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)ethyl]-N-methylprop-2-enamide
PubChem CID60953888
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC NameN-[2-(3-chlorophenoxy)ethyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CCOc1cccc(Cl)c1
InChIInChI=1S/C12H14ClNO2/c1-3-12(15)14(2)7-8-16-11-6-4-5-10(13)9-11/h3-6,9H,1,7-8H2,2H3
InChIKeySGMOEXLCAQJQDR-UHFFFAOYSA-N
XLogP2.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-chlorophenoxy)ethyl]-3-(3-chlorophenyl)-1-methylurea
CID 24528515
3-chloro-N-[2-(3-chlorophenoxy)ethyl]-N,2-dimethylpropanamide
CID 55110390
N-[2-(3-chlorophenoxy)ethyl]-3,5-dimethoxy-N-methylbenzamide
CID 27446793
2,6-dichloro-N-[2-(3-chlorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 78819673
5-[2-(3-chlorophenoxy)ethyl-methylamino]-5-oxopentanoic acid
CID 60954113
1-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide
CID 65464035
N-[2-(3-chlorophenoxy)ethyl]-N,1-dimethylcyclopentane-1-carboxamide
CID 55480704
2,5-dichloro-N-[2-(3-chlorophenoxy)ethyl]-N-methylthiophene-3-carboxamide
CID 55431451
(2S)-2-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide
CID 61165412
N-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide
CID 60938135
3-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide
CID 61138440
N-[2-(3-chlorophenoxy)ethyl]-3-ethyl-N-methylthiophene-2-carboxamide
CID 55996825

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-N-methylprop-2-enamide?
The IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-N-methylprop-2-enamide (CID 60953888) is N-[2-(3-chlorophenoxy)ethyl]-N-methylprop-2-enamide.
What is the SMILES notation for N-[2-(3-chlorophenoxy)ethyl]-N-methylprop-2-enamide?
The canonical SMILES for N-[2-(3-chlorophenoxy)ethyl]-N-methylprop-2-enamide is C=CC(=O)N(C)CCOc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenoxy)ethyl]-N-methylprop-2-enamide?
The InChIKey is SGMOEXLCAQJQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-3-12(15)14(2)7-8-16-11-6-4-5-10(13)9-11/h3-6,9H,1,7-8H2,2H3.
What are the key properties of N-[2-(3-chlorophenoxy)ethyl]-N-methylprop-2-enamide?
N-[2-(3-chlorophenoxy)ethyl]-N-methylprop-2-enamide has a molecular weight of 239.70 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)ethyl]-N-methylprop-2-enamide is sourced from PubChem (CID 60953888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).