N-[1-(4-chlorophenyl)ethyl]-2-(2-methoxyethoxy)acetamide

C13H18ClNO3 — CID 78797053

IUPACN-[1-(4-chlorophenyl)ethyl]-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)NC(C)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO3/c1-10(11-3-5-12(14)6-4-11)15-13(16)9-18-8-7-17-2/h3-6,10H,7-9H2,1-2H3,(H,15,16)
InChIKeyWBDPMDYFOCNDKZ-UHFFFAOYSA-N
MW271.74 g/mol
LogP2.18
Rot. Bonds7

About N-[1-(4-chlorophenyl)ethyl]-2-(2-methoxyethoxy)acetamide

N-[1-(4-chlorophenyl)ethyl]-2-(2-methoxyethoxy)acetamide (PubChem CID 78797053) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-2-(2-methoxyethoxy)acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-2-(2-methoxyethoxy)acetamide
PubChem CID78797053
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)NC(C)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO3/c1-10(11-3-5-12(14)6-4-11)15-13(16)9-18-8-7-17-2/h3-6,10H,7-9H2,1-2H3,(H,15,16)
InChIKeyWBDPMDYFOCNDKZ-UHFFFAOYSA-N
XLogP2.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-(4-chlorophenyl)ethyl]-2-propoxyacetamide
CID 107941741
N-[1-(4-chlorophenyl)ethyl]-2-methoxyacetamide
CID 18374039
2-(2-methoxyethoxy)-N-(1-naphthalen-2-ylethyl)acetamide
CID 43022550
2-methoxy-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide
CID 60638432
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 7948935
N-[(1R)-1-(3-bromophenyl)ethyl]-2-(2-methoxyethoxy)acetamide
CID 95607825
2-(2-aminoethoxy)-N-[1-(3,4-dichlorophenyl)ethyl]acetamide
CID 79473884
N-[2-(4-chlorophenyl)-1-phenylethyl]-2-(2-methoxyethoxy)acetamide
CID 60548393
N-[(1R)-1-(4-methylphenyl)ethyl]-2-propoxyacetamide
CID 107941740
N-[1-(4-chlorophenyl)ethyl]-3-oxobutanamide
CID 18072303
2-(4-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751569
2-O-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56506418

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-(2-methoxyethoxy)acetamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-(2-methoxyethoxy)acetamide (CID 78797053) is N-[1-(4-chlorophenyl)ethyl]-2-(2-methoxyethoxy)acetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-2-(2-methoxyethoxy)acetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-2-(2-methoxyethoxy)acetamide is COCCOCC(=O)NC(C)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-2-(2-methoxyethoxy)acetamide?
The InChIKey is WBDPMDYFOCNDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-10(11-3-5-12(14)6-4-11)15-13(16)9-18-8-7-17-2/h3-6,10H,7-9H2,1-2H3,(H,15,16).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-2-(2-methoxyethoxy)acetamide?
N-[1-(4-chlorophenyl)ethyl]-2-(2-methoxyethoxy)acetamide has a molecular weight of 271.74 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-2-(2-methoxyethoxy)acetamide is sourced from PubChem (CID 78797053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).