2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]butanamide

C14H22N2O3 — CID 54862844

IUPAC2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]butanamide
SMILESCCC(N)C(=O)Nc1ccc(C)cc1OCCOC
InChIInChI=1S/C14H22N2O3/c1-4-11(15)14(17)16-12-6-5-10(2)9-13(12)19-8-7-18-3/h5-6,9,11H,4,7-8,15H2,1-3H3,(H,16,17)
InChIKeyRTOZEQKVHVYXFD-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.70
Rot. Bonds7

About 2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]butanamide

2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]butanamide (PubChem CID 54862844) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]butanamide.

Molecular Properties

Compound Name2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]butanamide
PubChem CID54862844
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]butanamide
SMILESCCC(N)C(=O)Nc1ccc(C)cc1OCCOC
InChIInChI=1S/C14H22N2O3/c1-4-11(15)14(17)16-12-6-5-10(2)9-13(12)19-8-7-18-3/h5-6,9,11H,4,7-8,15H2,1-3H3,(H,16,17)
InChIKeyRTOZEQKVHVYXFD-UHFFFAOYSA-N
XLogP1.70
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.70
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

(2S)-2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]pentanamide
CID 107568802
2-bromo-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide
CID 107904095
N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-(methylamino)propanamide
CID 62639493
3-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119726873
methyl 2-(2-aminobutanoylamino)-5-methylbenzoate
CID 43701497
2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]acetamide;hydrochloride
CID 119291233
(2S)-2-amino-N-(2-hydroxy-4-methylphenyl)butanamide
CID 97315329
2-methyl-N-(4-methyl-2-propoxyphenyl)propanamide
CID 61062170
(2S)-2-amino-N-(2-ethoxy-4-methylphenyl)-3-methylpentanamide
CID 61173731
2-amino-N-(2,4-dimethylphenyl)-3-methoxypropanamide
CID 81082397
(2R)-2-amino-N-(2-ethoxy-4-methylphenyl)-3-methylbutanamide
CID 79013044
N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-methylbut-2-enamide
CID 113225723

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]butanamide?
The IUPAC name of 2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]butanamide (CID 54862844) is 2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]butanamide.
What is the SMILES notation for 2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]butanamide?
The canonical SMILES for 2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]butanamide is CCC(N)C(=O)Nc1ccc(C)cc1OCCOC.
What is the InChIKey of 2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]butanamide?
The InChIKey is RTOZEQKVHVYXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-11(15)14(17)16-12-6-5-10(2)9-13(12)19-8-7-18-3/h5-6,9,11H,4,7-8,15H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]butanamide?
2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]butanamide has a molecular weight of 266.34 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]butanamide is sourced from PubChem (CID 54862844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).