2-(2-aminoethoxy)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide

C14H21ClN2O2 — CID 79473076

IUPAC2-(2-aminoethoxy)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1cccc(Cl)c1)C(=O)COCCN
InChIInChI=1S/C14H21ClN2O2/c1-11(2)17(14(18)10-19-7-6-16)9-12-4-3-5-13(15)8-12/h3-5,8,11H,6-7,9-10,16H2,1-2H3
InChIKeyOVWIIEFQVCVTNP-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.05
Rot. Bonds7

About 2-(2-aminoethoxy)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide

2-(2-aminoethoxy)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide (PubChem CID 79473076) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide
PubChem CID79473076
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name2-(2-aminoethoxy)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1cccc(Cl)c1)C(=O)COCCN
InChIInChI=1S/C14H21ClN2O2/c1-11(2)17(14(18)10-19-7-6-16)9-12-4-3-5-13(15)8-12/h3-5,8,11H,6-7,9-10,16H2,1-2H3
InChIKeyOVWIIEFQVCVTNP-UHFFFAOYSA-N
XLogP2.05
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.05
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

4-chloro-N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutanamide
CID 63308078
2-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutanamide
CID 65227482
2-(1-aminocyclobutyl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide
CID 79854440
ethyl 2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetate
CID 60775299
N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)-N-propan-2-ylacetamide
CID 54871076
3-amino-4-[(3-chlorophenyl)methyl-propan-2-ylamino]-4-oxobutanoic acid
CID 64896697
2-amino-N-[(3-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpentanamide
CID 60945851
2-(4-aminopyrazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide
CID 61106727
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide
CID 119723223
2-amino-N-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)acetamide
CID 39357180
2-(2-aminoethoxy)-N-ethyl-N-[(3-methylphenyl)methyl]acetamide
CID 79472813
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
CID 2620401

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide (CID 79473076) is 2-(2-aminoethoxy)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide is CC(C)N(Cc1cccc(Cl)c1)C(=O)COCCN.
What is the InChIKey of 2-(2-aminoethoxy)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide?
The InChIKey is OVWIIEFQVCVTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-11(2)17(14(18)10-19-7-6-16)9-12-4-3-5-13(15)8-12/h3-5,8,11H,6-7,9-10,16H2,1-2H3.
What are the key properties of 2-(2-aminoethoxy)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide?
2-(2-aminoethoxy)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide has a molecular weight of 284.79 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 79473076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).