2-(3-aminophenyl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide

C14H22N2O2 — CID 82947951

IUPAC2-(3-aminophenyl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide
SMILESCOCCN(C(=O)Cc1cccc(N)c1)C(C)C
InChIInChI=1S/C14H22N2O2/c1-11(2)16(7-8-18-3)14(17)10-12-5-4-6-13(15)9-12/h4-6,9,11H,7-8,10,15H2,1-3H3
InChIKeySZBOWCCCKFBSTO-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.69
Rot. Bonds6

About 2-(3-aminophenyl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide

2-(3-aminophenyl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide (PubChem CID 82947951) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide
PubChem CID82947951
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(3-aminophenyl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide
SMILESCOCCN(C(=O)Cc1cccc(N)c1)C(C)C
InChIInChI=1S/C14H22N2O2/c1-11(2)16(7-8-18-3)14(17)10-12-5-4-6-13(15)9-12/h4-6,9,11H,7-8,10,15H2,1-3H3
InChIKeySZBOWCCCKFBSTO-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-(3-aminophenyl)-N-ethyl-N-propan-2-ylacetamide
CID 62498182
ethyl 2-[[2-(3-aminophenyl)acetyl]-propan-2-ylamino]acetate
CID 62498045
2-(2-aminophenyl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide
CID 82949298
2-(3-aminophenyl)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)acetamide
CID 62500315
2-(4-aminophenyl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide
CID 55001222
3-[3-(3-aminophenyl)propanoyl-propan-2-ylamino]propanoic acid
CID 115341312
3-amino-N-butan-2-yl-N-(2-methoxyethyl)benzamide
CID 55001467
2-(3-aminophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 62498674
N-[(3-aminophenyl)methyl]-N-ethyl-3-methoxypropanamide
CID 62588734
2-[2-[2-methoxyethyl(propan-2-yl)amino]-2-oxoethyl]benzoic acid
CID 104601741
methyl 3-[[2-(3-methylphenyl)acetyl]-propan-2-ylamino]propanoate
CID 56789344
2-(3-aminophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylacetamide
CID 62499845

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(3-aminophenyl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide (CID 82947951) is 2-(3-aminophenyl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3-aminophenyl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide is COCCN(C(=O)Cc1cccc(N)c1)C(C)C.
What is the InChIKey of 2-(3-aminophenyl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide?
The InChIKey is SZBOWCCCKFBSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(2)16(7-8-18-3)14(17)10-12-5-4-6-13(15)9-12/h4-6,9,11H,7-8,10,15H2,1-3H3.
What are the key properties of 2-(3-aminophenyl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide?
2-(3-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-(3-aminophenyl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 82947951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).