2-(2-aminophenyl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide

C14H22N2O2 — CID 82949298

IUPAC2-(2-aminophenyl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide
SMILESCOCCN(C(=O)Cc1ccccc1N)C(C)C
InChIInChI=1S/C14H22N2O2/c1-11(2)16(8-9-18-3)14(17)10-12-6-4-5-7-13(12)15/h4-7,11H,8-10,15H2,1-3H3
InChIKeyKBQMXNVSMXJVCC-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.69
Rot. Bonds6

About 2-(2-aminophenyl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide

2-(2-aminophenyl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide (PubChem CID 82949298) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide
PubChem CID82949298
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(2-aminophenyl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide
SMILESCOCCN(C(=O)Cc1ccccc1N)C(C)C
InChIInChI=1S/C14H22N2O2/c1-11(2)16(8-9-18-3)14(17)10-12-6-4-5-7-13(12)15/h4-7,11H,8-10,15H2,1-3H3
InChIKeyKBQMXNVSMXJVCC-UHFFFAOYSA-N
XLogP1.69
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-methoxyethyl(propan-2-yl)amino]-2-oxoethyl]benzoic acid
CID 104601741
2-(2-aminophenyl)-N-pentyl-N-propan-2-ylacetamide
CID 61105636
2-(3-aminophenyl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide
CID 82947951
2-(2-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)acetamide
CID 61107155
2-(1H-indol-3-yl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide
CID 82960282
3-amino-N-(2-methoxyethyl)-3-phenyl-N-propan-2-ylpropanamide
CID 82949172
N-[(2-aminophenyl)methyl]-N-propan-2-ylpropanamide
CID 43460336
N-[(2-aminophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide
CID 43384061
2-(2-aminophenyl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide
CID 61106399
2-(4-aminophenyl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide
CID 55001222
2-amino-5-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82949201
2-(2-aminophenyl)-N,N-dimethylacetamide;hydrochloride
CID 141352115

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(2-aminophenyl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide (CID 82949298) is 2-(2-aminophenyl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2-aminophenyl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2-aminophenyl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide is COCCN(C(=O)Cc1ccccc1N)C(C)C.
What is the InChIKey of 2-(2-aminophenyl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide?
The InChIKey is KBQMXNVSMXJVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(2)16(8-9-18-3)14(17)10-12-6-4-5-7-13(12)15/h4-7,11H,8-10,15H2,1-3H3.
What are the key properties of 2-(2-aminophenyl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide?
2-(2-aminophenyl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide has a molecular weight of 250.34 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 82949298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).