2-(3-aminophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylacetamide

C14H21N3O3 — CID 62499845

IUPAC2-(3-aminophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylacetamide
SMILESCOCCNC(=O)CN(C)C(=O)Cc1cccc(N)c1
InChIInChI=1S/C14H21N3O3/c1-17(10-13(18)16-6-7-20-2)14(19)9-11-4-3-5-12(15)8-11/h3-5,8H,6-7,9-10,15H2,1-2H3,(H,16,18)
InChIKeyKQIDFYOTLLCMQK-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.03
Rot. Bonds7

About 2-(3-aminophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylacetamide

2-(3-aminophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylacetamide (PubChem CID 62499845) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylacetamide
PubChem CID62499845
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-(3-aminophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylacetamide
SMILESCOCCNC(=O)CN(C)C(=O)Cc1cccc(N)c1
InChIInChI=1S/C14H21N3O3/c1-17(10-13(18)16-6-7-20-2)14(19)9-11-4-3-5-12(15)8-11/h3-5,8H,6-7,9-10,15H2,1-2H3,(H,16,18)
InChIKeyKQIDFYOTLLCMQK-UHFFFAOYSA-N
XLogP0.03
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenyl)-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide
CID 62498364
3-(chloromethyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
CID 60949967
2-(3-aminophenyl)-N-propylacetamide
CID 28689659
3,5-diamino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61109542
2-(3-aminophenyl)-N-[4-[methyl(propan-2-yl)amino]butyl]acetamide
CID 62499698
2-(3-aminophenyl)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 62499528
2-(4-methoxyphenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylacetamide
CID 51307828
2-(3-aminophenyl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide
CID 82947951
2-(3-aminophenyl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 28711957
2-(3-aminophenyl)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)acetamide
CID 62500315
2-(3-aminophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 62498674
N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide
CID 9076484

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylacetamide?
The IUPAC name of 2-(3-aminophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylacetamide (CID 62499845) is 2-(3-aminophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylacetamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylacetamide?
The canonical SMILES for 2-(3-aminophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylacetamide is COCCNC(=O)CN(C)C(=O)Cc1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylacetamide?
The InChIKey is KQIDFYOTLLCMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-17(10-13(18)16-6-7-20-2)14(19)9-11-4-3-5-12(15)8-11/h3-5,8H,6-7,9-10,15H2,1-2H3,(H,16,18).
What are the key properties of 2-(3-aminophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylacetamide?
2-(3-aminophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylacetamide has a molecular weight of 279.34 g/mol, XLogP of 0.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylacetamide is sourced from PubChem (CID 62499845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).