4-amino-3-methoxy-N-[3-(2-methoxyethoxy)phenyl]butanamide

C14H22N2O4 — CID 103154927

IUPAC4-amino-3-methoxy-N-[3-(2-methoxyethoxy)phenyl]butanamide
SMILESCOCCOc1cccc(NC(=O)CC(CN)OC)c1
InChIInChI=1S/C14H22N2O4/c1-18-6-7-20-12-5-3-4-11(8-12)16-14(17)9-13(10-15)19-2/h3-5,8,13H,6-7,9-10,15H2,1-2H3,(H,16,17)
InChIKeyFNHFOGPZUUWYEL-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.01
Rot. Bonds9

About 4-amino-3-methoxy-N-[3-(2-methoxyethoxy)phenyl]butanamide

4-amino-3-methoxy-N-[3-(2-methoxyethoxy)phenyl]butanamide (PubChem CID 103154927) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[3-(2-methoxyethoxy)phenyl]butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[3-(2-methoxyethoxy)phenyl]butanamide
PubChem CID103154927
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name4-amino-3-methoxy-N-[3-(2-methoxyethoxy)phenyl]butanamide
SMILESCOCCOc1cccc(NC(=O)CC(CN)OC)c1
InChIInChI=1S/C14H22N2O4/c1-18-6-7-20-12-5-3-4-11(8-12)16-14(17)9-13(10-15)19-2/h3-5,8,13H,6-7,9-10,15H2,1-2H3,(H,16,17)
InChIKeyFNHFOGPZUUWYEL-UHFFFAOYSA-N
XLogP1.01
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-methoxy-N-(3-methoxyphenyl)butanamide;hydrochloride
CID 120586371
3-amino-N-[3-(2-methoxyethoxy)phenyl]butanamide
CID 54862322
4-amino-N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methoxybutanamide
CID 120588341
3-amino-N-[3-(2-methoxyethoxy)phenyl]-3-phenylpropanamide
CID 119949876
4-amino-3-methoxy-N-[3-(propanoylamino)phenyl]butanamide
CID 103155505
4-amino-N-(3-chlorophenyl)-3-methoxybutanamide;hydrochloride
CID 120586386
N-[3-(2-aminoethoxy)phenyl]-2-methoxyacetamide
CID 61277360
4-[3-(2-methoxyethoxy)anilino]-4-oxobutanoic acid
CID 17169763
2-[(4-amino-3-methoxybutanoyl)amino]-N-(3-methoxyphenyl)benzamide;hydrochloride
CID 120586763
3-amino-N-[3-(2-methoxyethoxy)phenyl]-2,2-dimethylpropanamide;hydrochloride
CID 119723463
N-[3-(2-methoxyethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 54819707
(2S)-2-amino-N-[3-(2-methoxyethoxy)phenyl]propanamide;hydrochloride
CID 119289412

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[3-(2-methoxyethoxy)phenyl]butanamide?
The IUPAC name of 4-amino-3-methoxy-N-[3-(2-methoxyethoxy)phenyl]butanamide (CID 103154927) is 4-amino-3-methoxy-N-[3-(2-methoxyethoxy)phenyl]butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-[3-(2-methoxyethoxy)phenyl]butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-[3-(2-methoxyethoxy)phenyl]butanamide is COCCOc1cccc(NC(=O)CC(CN)OC)c1.
What is the InChIKey of 4-amino-3-methoxy-N-[3-(2-methoxyethoxy)phenyl]butanamide?
The InChIKey is FNHFOGPZUUWYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-18-6-7-20-12-5-3-4-11(8-12)16-14(17)9-13(10-15)19-2/h3-5,8,13H,6-7,9-10,15H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-3-methoxy-N-[3-(2-methoxyethoxy)phenyl]butanamide?
4-amino-3-methoxy-N-[3-(2-methoxyethoxy)phenyl]butanamide has a molecular weight of 282.34 g/mol, XLogP of 1.01, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[3-(2-methoxyethoxy)phenyl]butanamide is sourced from PubChem (CID 103154927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).