2-(2-aminoethoxy)-N-[1-(3,4-dichlorophenyl)ethyl]acetamide

C12H16Cl2N2O2 — CID 79473884

IUPAC2-(2-aminoethoxy)-N-[1-(3,4-dichlorophenyl)ethyl]acetamide
SMILESCC(NC(=O)COCCN)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O2/c1-8(16-12(17)7-18-5-4-15)9-2-3-10(13)11(14)6-9/h2-3,6,8H,4-5,7,15H2,1H3,(H,16,17)
InChIKeyVPBQKRORUZWCON-UHFFFAOYSA-N
MW291.18 g/mol
LogP2.15
Rot. Bonds6

About 2-(2-aminoethoxy)-N-[1-(3,4-dichlorophenyl)ethyl]acetamide

2-(2-aminoethoxy)-N-[1-(3,4-dichlorophenyl)ethyl]acetamide (PubChem CID 79473884) has the molecular formula C12H16Cl2N2O2 and a molecular weight of 291.18 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-[1-(3,4-dichlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-[1-(3,4-dichlorophenyl)ethyl]acetamide
PubChem CID79473884
Molecular FormulaC12H16Cl2N2O2
Molecular Weight291.18 g/mol
Exact Mass290.06
IUPAC Name2-(2-aminoethoxy)-N-[1-(3,4-dichlorophenyl)ethyl]acetamide
SMILESCC(NC(=O)COCCN)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O2/c1-8(16-12(17)7-18-5-4-15)9-2-3-10(13)11(14)6-9/h2-3,6,8H,4-5,7,15H2,1H3,(H,16,17)
InChIKeyVPBQKRORUZWCON-UHFFFAOYSA-N
XLogP2.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminoethoxy)-N-[1-(3-hydroxyphenyl)ethyl]acetamide
CID 79473809
2-(2-aminoethoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 79473917
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-propoxyacetamide
CID 107941741
N-[1-(4-chlorophenyl)ethyl]-2-(2-methoxyethoxy)acetamide
CID 78797053
4-[2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethoxy]benzamide
CID 7931207
4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylbutanamide
CID 80543571
3-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylpropanamide
CID 62669661
[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 5-methylfuran-2-carboxylate
CID 31395963
[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8549671
[2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 3-phenylpropanoate
CID 7957969
[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 8532627
N-[1-(3,4-dichlorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119686021

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-[1-(3,4-dichlorophenyl)ethyl]acetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-[1-(3,4-dichlorophenyl)ethyl]acetamide (CID 79473884) is 2-(2-aminoethoxy)-N-[1-(3,4-dichlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-[1-(3,4-dichlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-[1-(3,4-dichlorophenyl)ethyl]acetamide is CC(NC(=O)COCCN)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(2-aminoethoxy)-N-[1-(3,4-dichlorophenyl)ethyl]acetamide?
The InChIKey is VPBQKRORUZWCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2/c1-8(16-12(17)7-18-5-4-15)9-2-3-10(13)11(14)6-9/h2-3,6,8H,4-5,7,15H2,1H3,(H,16,17).
What are the key properties of 2-(2-aminoethoxy)-N-[1-(3,4-dichlorophenyl)ethyl]acetamide?
2-(2-aminoethoxy)-N-[1-(3,4-dichlorophenyl)ethyl]acetamide has a molecular weight of 291.18 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-[1-(3,4-dichlorophenyl)ethyl]acetamide is sourced from PubChem (CID 79473884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).