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

C13H20N2O3 — CID 54862322

IUPAC3-amino-N-[3-(2-methoxyethoxy)phenyl]butanamide
SMILESCOCCOc1cccc(NC(=O)CC(C)N)c1
InChIInChI=1S/C13H20N2O3/c1-10(14)8-13(16)15-11-4-3-5-12(9-11)18-7-6-17-2/h3-5,9-10H,6-8,14H2,1-2H3,(H,15,16)
InChIKeyDCCVFBVTGILELK-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.39
Rot. Bonds7

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

3-amino-N-[3-(2-methoxyethoxy)phenyl]butanamide (PubChem CID 54862322) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-amino-N-[3-(2-methoxyethoxy)phenyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[3-(2-methoxyethoxy)phenyl]butanamide
PubChem CID54862322
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-amino-N-[3-(2-methoxyethoxy)phenyl]butanamide
SMILESCOCCOc1cccc(NC(=O)CC(C)N)c1
InChIInChI=1S/C13H20N2O3/c1-10(14)8-13(16)15-11-4-3-5-12(9-11)18-7-6-17-2/h3-5,9-10H,6-8,14H2,1-2H3,(H,15,16)
InChIKeyDCCVFBVTGILELK-UHFFFAOYSA-N
XLogP1.39
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[3-(2-methoxyethoxy)phenyl]-3-phenylpropanamide
CID 119949876
4-amino-3-methoxy-N-[3-(2-methoxyethoxy)phenyl]butanamide
CID 103154927
(2S)-2-amino-N-[3-(2-methoxyethoxy)phenyl]propanamide;hydrochloride
CID 119289412
4-[3-(2-methoxyethoxy)anilino]-4-oxobutanoic acid
CID 17169763
N-[3-(2-methoxyethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 54819707
3-amino-N-[3-(pyridin-3-ylmethoxy)phenyl]butanamide;dihydrochloride
CID 119846183
3-amino-N-(3-hydroxyphenyl)butanamide
CID 61165718
N-[3-(2-aminoethoxy)phenyl]-2-methoxyacetamide
CID 61277360
4-amino-5-[3-(2-methoxyethoxy)anilino]-5-oxopentanoic acid
CID 64890275
3-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119713717
3-amino-N-[3-(carbamoylamino)phenyl]butanamide;hydrochloride
CID 119702026
2-(2-methoxyethylamino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54819962

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(2-methoxyethoxy)phenyl]butanamide?
The IUPAC name of 3-amino-N-[3-(2-methoxyethoxy)phenyl]butanamide (CID 54862322) is 3-amino-N-[3-(2-methoxyethoxy)phenyl]butanamide.
What is the SMILES notation for 3-amino-N-[3-(2-methoxyethoxy)phenyl]butanamide?
The canonical SMILES for 3-amino-N-[3-(2-methoxyethoxy)phenyl]butanamide is COCCOc1cccc(NC(=O)CC(C)N)c1.
What is the InChIKey of 3-amino-N-[3-(2-methoxyethoxy)phenyl]butanamide?
The InChIKey is DCCVFBVTGILELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-10(14)8-13(16)15-11-4-3-5-12(9-11)18-7-6-17-2/h3-5,9-10H,6-8,14H2,1-2H3,(H,15,16).
What are the key properties of 3-amino-N-[3-(2-methoxyethoxy)phenyl]butanamide?
3-amino-N-[3-(2-methoxyethoxy)phenyl]butanamide has a molecular weight of 252.31 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(2-methoxyethoxy)phenyl]butanamide is sourced from PubChem (CID 54862322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).