3-(2-aminophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide

C14H22N2O3 — CID 106161001

IUPAC3-(2-aminophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
SMILESCOCC(CCO)NC(=O)CCc1ccccc1N
InChIInChI=1S/C14H22N2O3/c1-19-10-12(8-9-17)16-14(18)7-6-11-4-2-3-5-13(11)15/h2-5,12,17H,6-10,15H2,1H3,(H,16,18)
InChIKeyRSBOHUIQSFNEHY-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.71
Rot. Bonds8

About 3-(2-aminophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide

3-(2-aminophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide (PubChem CID 106161001) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
PubChem CID106161001
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-(2-aminophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
SMILESCOCC(CCO)NC(=O)CCc1ccccc1N
InChIInChI=1S/C14H22N2O3/c1-19-10-12(8-9-17)16-14(18)7-6-11-4-2-3-5-13(11)15/h2-5,12,17H,6-10,15H2,1H3,(H,16,18)
InChIKeyRSBOHUIQSFNEHY-UHFFFAOYSA-N
XLogP0.71
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-N-(5-hydroxypentan-2-yl)propanamide
CID 107273243
3-(2-aminophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 107272981
methyl 2-[3-(2-aminophenyl)propanoylamino]propanoate
CID 107273028
N-(4-hydroxy-1-methoxybutan-2-yl)-3-(4-methylphenyl)propanamide
CID 103799440
2-(2-fluorophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
CID 103799437
3-(4-fluorophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
CID 103799465
N-(1-hydroxypentan-3-yl)-3-(2-methoxyphenyl)propanamide
CID 115767199
3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-3-phenylpropanamide
CID 106161030
3-(benzenesulfonyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
CID 103851039
3-(2-aminophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
CID 107273207
3-(2-aminophenyl)-N-(2-ethyl-4-hydroxybutyl)propanamide;hydrochloride
CID 120610920
methyl 2-[3-(2-aminophenyl)propanoylamino]-4-methylpentanoate;hydrochloride
CID 120609137

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide (CID 106161001) is 3-(2-aminophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide is COCC(CCO)NC(=O)CCc1ccccc1N.
What is the InChIKey of 3-(2-aminophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide?
The InChIKey is RSBOHUIQSFNEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-19-10-12(8-9-17)16-14(18)7-6-11-4-2-3-5-13(11)15/h2-5,12,17H,6-10,15H2,1H3,(H,16,18).
What are the key properties of 3-(2-aminophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide?
3-(2-aminophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide has a molecular weight of 266.34 g/mol, XLogP of 0.71, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide is sourced from PubChem (CID 106161001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).