N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-(4-methoxyphenoxy)propanamide

C15H23NO5 — CID 103602252

IUPACN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-(4-methoxyphenoxy)propanamide
SMILESCCC(CO)(CO)NC(=O)CCOc1ccc(OC)cc1
InChIInChI=1S/C15H23NO5/c1-3-15(10-17,11-18)16-14(19)8-9-21-13-6-4-12(20-2)5-7-13/h4-7,17-18H,3,8-11H2,1-2H3,(H,16,19)
InChIKeyZAJWNGBYGJWCCB-UHFFFAOYSA-N
MW297.35 g/mol
LogP0.71
Rot. Bonds9

About N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-(4-methoxyphenoxy)propanamide

N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-(4-methoxyphenoxy)propanamide (PubChem CID 103602252) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-(4-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-(4-methoxyphenoxy)propanamide
PubChem CID103602252
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC NameN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-(4-methoxyphenoxy)propanamide
SMILESCCC(CO)(CO)NC(=O)CCOc1ccc(OC)cc1
InChIInChI=1S/C15H23NO5/c1-3-15(10-17,11-18)16-14(19)8-9-21-13-6-4-12(20-2)5-7-13/h4-7,17-18H,3,8-11H2,1-2H3,(H,16,19)
InChIKeyZAJWNGBYGJWCCB-UHFFFAOYSA-N
XLogP0.71
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-fluorophenoxy)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide
CID 103890959
4-(4-bromophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]butanamide
CID 62520654
3-(4-aminophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide
CID 107843409
2-ethyl-2-[2-(4-methoxyphenoxy)ethylamino]propane-1,3-diol
CID 107865381
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
3-(4-bromophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide
CID 64558336
3-(3,4-dichlorophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide
CID 107846232
4-(2-carboxyethyl)-4-[6-(4-methoxyphenoxy)hexanoylamino]heptanedioic acid
CID 101425925
N-[1-(hydroxymethyl)cyclobutyl]-3-(4-methoxyphenoxy)propanamide
CID 115878186
N-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenoxy)propanamide
CID 62519503
N-cyclohexyl-3-(4-methoxyphenoxy)propanamide
CID 974927

Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-(4-methoxyphenoxy)propanamide?
The IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-(4-methoxyphenoxy)propanamide (CID 103602252) is N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-(4-methoxyphenoxy)propanamide.
What is the SMILES notation for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-(4-methoxyphenoxy)propanamide?
The canonical SMILES for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-(4-methoxyphenoxy)propanamide is CCC(CO)(CO)NC(=O)CCOc1ccc(OC)cc1.
What is the InChIKey of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-(4-methoxyphenoxy)propanamide?
The InChIKey is ZAJWNGBYGJWCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5/c1-3-15(10-17,11-18)16-14(19)8-9-21-13-6-4-12(20-2)5-7-13/h4-7,17-18H,3,8-11H2,1-2H3,(H,16,19).
What are the key properties of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-(4-methoxyphenoxy)propanamide?
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-(4-methoxyphenoxy)propanamide has a molecular weight of 297.35 g/mol, XLogP of 0.71, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-(4-methoxyphenoxy)propanamide is sourced from PubChem (CID 103602252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).