3-(4-aminophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide

C13H20N2O5 — CID 107843409

IUPAC3-(4-aminophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide
SMILESNc1ccc(OCCC(=O)NC(CO)(CO)CO)cc1
InChIInChI=1S/C13H20N2O5/c14-10-1-3-11(4-2-10)20-6-5-12(19)15-13(7-16,8-17)9-18/h1-4,16-18H,5-9,14H2,(H,15,19)
InChIKeyHSCMUFJJKRDOMP-UHFFFAOYSA-N
MW284.31 g/mol
LogP-1.13
Rot. Bonds8

About 3-(4-aminophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide

3-(4-aminophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide (PubChem CID 107843409) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is 3-(4-aminophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide.

Molecular Properties

Compound Name3-(4-aminophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide
PubChem CID107843409
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name3-(4-aminophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide
SMILESNc1ccc(OCCC(=O)NC(CO)(CO)CO)cc1
InChIInChI=1S/C13H20N2O5/c14-10-1-3-11(4-2-10)20-6-5-12(19)15-13(7-16,8-17)9-18/h1-4,16-18H,5-9,14H2,(H,15,19)
InChIKeyHSCMUFJJKRDOMP-UHFFFAOYSA-N
XLogP-1.13
TPSA125.04 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 5-1.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-(4-methoxyphenoxy)propanamide
CID 103602252
3-(3,4-dichlorophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide
CID 107846232
3-(4-aminophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 106139288
3-(4-aminophenoxy)-N-(2-cyclopentylethyl)propanamide
CID 61102913
2-(4-aminophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]ethanesulfonamide
CID 107843768
3-(4-aminophenoxy)-N-(2,2-dimethylbutyl)propanamide
CID 103459992
3-(4-aminophenoxy)-N-(4-iodophenyl)propanamide
CID 61094942
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(2-fluorophenoxy)propanamide
CID 107845510
3-(4-aminophenoxy)-N-(2-hydroxy-2-methylbutyl)propanamide
CID 65103759
N-[3-(aminomethyl)pentan-3-yl]-3-(4-fluorophenoxy)propanamide;hydrochloride
CID 119569552
3-(2-aminophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide
CID 62524628
4-(4-fluorophenoxy)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide
CID 103890959

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide?
The IUPAC name of 3-(4-aminophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide (CID 107843409) is 3-(4-aminophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide.
What is the SMILES notation for 3-(4-aminophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide?
The canonical SMILES for 3-(4-aminophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide is Nc1ccc(OCCC(=O)NC(CO)(CO)CO)cc1.
What is the InChIKey of 3-(4-aminophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide?
The InChIKey is HSCMUFJJKRDOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c14-10-1-3-11(4-2-10)20-6-5-12(19)15-13(7-16,8-17)9-18/h1-4,16-18H,5-9,14H2,(H,15,19).
What are the key properties of 3-(4-aminophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide?
3-(4-aminophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide has a molecular weight of 284.31 g/mol, XLogP of -1.13, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide is sourced from PubChem (CID 107843409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).