2-(3-aminophenyl)-N,N-bis(2-methoxyethyl)propanamide

C15H24N2O3 — CID 106590951

IUPAC2-(3-aminophenyl)-N,N-bis(2-methoxyethyl)propanamide
SMILESCOCCN(CCOC)C(=O)C(C)c1cccc(N)c1
InChIInChI=1S/C15H24N2O3/c1-12(13-5-4-6-14(16)11-13)15(18)17(7-9-19-2)8-10-20-3/h4-6,11-12H,7-10,16H2,1-3H3
InChIKeyINYKEBCGFDUWSB-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.49
Rot. Bonds8

About 2-(3-aminophenyl)-N,N-bis(2-methoxyethyl)propanamide

2-(3-aminophenyl)-N,N-bis(2-methoxyethyl)propanamide (PubChem CID 106590951) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N,N-bis(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N,N-bis(2-methoxyethyl)propanamide
PubChem CID106590951
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-(3-aminophenyl)-N,N-bis(2-methoxyethyl)propanamide
SMILESCOCCN(CCOC)C(=O)C(C)c1cccc(N)c1
InChIInChI=1S/C15H24N2O3/c1-12(13-5-4-6-14(16)11-13)15(18)17(7-9-19-2)8-10-20-3/h4-6,11-12H,7-10,16H2,1-3H3
InChIKeyINYKEBCGFDUWSB-UHFFFAOYSA-N
XLogP1.49
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenyl)-N-methoxy-N-methylpropanamide
CID 106590965
2-(3-aminophenyl)-N-ethyl-N-(2-ethylbutyl)propanamide
CID 106590949
2-(3-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpropanamide
CID 106591163
2-(3-aminophenyl)-N-methyl-N-pentan-3-ylpropanamide
CID 106590925
2-(3-aminophenyl)-N-methyl-N-prop-2-enylpropanamide
CID 106591692
2-(3-aminophenyl)-N-[3-(2-methoxyethylamino)-3-oxopropyl]propanamide
CID 106591770
2-(3-aminophenyl)-N-(cyclobutylmethyl)-N-ethylpropanamide
CID 107396898
2-hydroxypropyl 2-(3-aminophenyl)propanoate
CID 106592560
N-[1-(3-aminophenyl)ethyl]-4-methoxy-N-methylbutanamide
CID 78984491
2-(3-aminophenyl)propanoate
CID 71650577
(3-methoxy-3-methylbutyl) 2-(3-aminophenyl)propanoate
CID 106592409
N-[1-(3-aminophenyl)ethyl]-2-methoxy-N-methylacetamide
CID 61278164

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N,N-bis(2-methoxyethyl)propanamide?
The IUPAC name of 2-(3-aminophenyl)-N,N-bis(2-methoxyethyl)propanamide (CID 106590951) is 2-(3-aminophenyl)-N,N-bis(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-(3-aminophenyl)-N,N-bis(2-methoxyethyl)propanamide?
The canonical SMILES for 2-(3-aminophenyl)-N,N-bis(2-methoxyethyl)propanamide is COCCN(CCOC)C(=O)C(C)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N,N-bis(2-methoxyethyl)propanamide?
The InChIKey is INYKEBCGFDUWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-12(13-5-4-6-14(16)11-13)15(18)17(7-9-19-2)8-10-20-3/h4-6,11-12H,7-10,16H2,1-3H3.
What are the key properties of 2-(3-aminophenyl)-N,N-bis(2-methoxyethyl)propanamide?
2-(3-aminophenyl)-N,N-bis(2-methoxyethyl)propanamide has a molecular weight of 280.37 g/mol, XLogP of 1.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N,N-bis(2-methoxyethyl)propanamide is sourced from PubChem (CID 106590951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).