3-(2-aminophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide

C15H24N2O3 — CID 62524628

IUPAC3-(2-aminophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide
SMILESCCC(CC)(CO)NC(=O)CCOc1ccccc1N
InChIInChI=1S/C15H24N2O3/c1-3-15(4-2,11-18)17-14(19)9-10-20-13-8-6-5-7-12(13)16/h5-8,18H,3-4,9-11,16H2,1-2H3,(H,17,19)
InChIKeyAYRIIBHQEIJJOJ-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.71
Rot. Bonds8

About 3-(2-aminophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide

3-(2-aminophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide (PubChem CID 62524628) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-(2-aminophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide
PubChem CID62524628
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-(2-aminophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide
SMILESCCC(CC)(CO)NC(=O)CCOc1ccccc1N
InChIInChI=1S/C15H24N2O3/c1-3-15(4-2,11-18)17-14(19)9-10-20-13-8-6-5-7-12(13)16/h5-8,18H,3-4,9-11,16H2,1-2H3,(H,17,19)
InChIKeyAYRIIBHQEIJJOJ-UHFFFAOYSA-N
XLogP1.71
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.71
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

2-(2-aminophenoxy)-N-(3-ethylpentan-3-yl)acetamide
CID 65037879
N-[3-(aminomethyl)pentan-3-yl]-3-(2-phenylphenoxy)propanamide
CID 119570911
N-[3-(aminomethyl)pentan-3-yl]-3-(2-fluorophenoxy)propanamide
CID 119569535
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(2-fluorophenoxy)propanamide
CID 107845510
3-(3-aminophenoxy)-N-(3-ethylpentan-3-yl)propanamide
CID 65039442
3-(2-aminophenyl)-N-(3-ethylpentan-3-yl)propanamide
CID 65042808
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-(4-methoxyphenoxy)propanamide
CID 103602252
3-(2-aminophenoxy)-N-(3,3-dimethylbutan-2-yl)propanamide
CID 104827234
3-(2-aminophenoxy)-N-pentylpropanamide
CID 61090081
3-(2-aminophenoxy)-N-[1-(hydroxymethyl)cyclopentyl]propanamide
CID 62523597
N-(2-amino-2-oxoethyl)-3-(2-aminophenoxy)propanamide
CID 61091283
3-(4-aminophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide
CID 107843409

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide?
The IUPAC name of 3-(2-aminophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide (CID 62524628) is 3-(2-aminophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide.
What is the SMILES notation for 3-(2-aminophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide?
The canonical SMILES for 3-(2-aminophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide is CCC(CC)(CO)NC(=O)CCOc1ccccc1N.
What is the InChIKey of 3-(2-aminophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide?
The InChIKey is AYRIIBHQEIJJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-15(4-2,11-18)17-14(19)9-10-20-13-8-6-5-7-12(13)16/h5-8,18H,3-4,9-11,16H2,1-2H3,(H,17,19).
What are the key properties of 3-(2-aminophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide?
3-(2-aminophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide has a molecular weight of 280.37 g/mol, XLogP of 1.71, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide is sourced from PubChem (CID 62524628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).