4-[2-(hydroxymethyl)phenoxy]-2-(propylamino)butanamide

C14H22N2O3 — CID 63652935

IUPAC4-[2-(hydroxymethyl)phenoxy]-2-(propylamino)butanamide
SMILESCCCNC(CCOc1ccccc1CO)C(N)=O
InChIInChI=1S/C14H22N2O3/c1-2-8-16-12(14(15)18)7-9-19-13-6-4-3-5-11(13)10-17/h3-6,12,16-17H,2,7-10H2,1H3,(H2,15,18)
InChIKeyZVZLHSHOAFBKIO-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.80
Rot. Bonds9

About 4-[2-(hydroxymethyl)phenoxy]-2-(propylamino)butanamide

4-[2-(hydroxymethyl)phenoxy]-2-(propylamino)butanamide (PubChem CID 63652935) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-[2-(hydroxymethyl)phenoxy]-2-(propylamino)butanamide.

Molecular Properties

Compound Name4-[2-(hydroxymethyl)phenoxy]-2-(propylamino)butanamide
PubChem CID63652935
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name4-[2-(hydroxymethyl)phenoxy]-2-(propylamino)butanamide
SMILESCCCNC(CCOc1ccccc1CO)C(N)=O
InChIInChI=1S/C14H22N2O3/c1-2-8-16-12(14(15)18)7-9-19-13-6-4-3-5-11(13)10-17/h3-6,12,16-17H,2,7-10H2,1H3,(H2,15,18)
InChIKeyZVZLHSHOAFBKIO-UHFFFAOYSA-N
XLogP0.80
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(propylamino)-4-quinolin-5-yloxybutanamide
CID 103045604
ethyl 4-(2-methoxyphenoxy)-2-(propylamino)butanoate
CID 63041590
4-(4-ethoxyphenoxy)-2-(propylamino)butanamide
CID 63039148
ethyl 2-amino-4-[2-(hydroxymethyl)phenoxy]butanoate
CID 55246185
4-(2-methyl-3-nitrophenoxy)-2-(propylamino)butanamide
CID 63041100
ethyl 2-(ethylamino)-4-(2-ethylphenoxy)butanoate
CID 63034432
methyl 2-(ethylamino)-4-(2-ethylphenoxy)butanoate
CID 55143393
4-(2-methoxy-N-methylanilino)-2-(propylamino)butanamide
CID 63053276
[2-(3,3-diethoxypropoxy)phenyl]methanol
CID 63654292
4-(2-ethylphenoxy)-2-(methylamino)butanoic acid
CID 63034947
4-[2-(hydroxymethyl)phenoxy]-2-methyl-2-(propylamino)butanoic acid
CID 63654688
(2-octoxyphenyl)methanol
CID 43128604

Frequently Asked Questions

What is the IUPAC name of 4-[2-(hydroxymethyl)phenoxy]-2-(propylamino)butanamide?
The IUPAC name of 4-[2-(hydroxymethyl)phenoxy]-2-(propylamino)butanamide (CID 63652935) is 4-[2-(hydroxymethyl)phenoxy]-2-(propylamino)butanamide.
What is the SMILES notation for 4-[2-(hydroxymethyl)phenoxy]-2-(propylamino)butanamide?
The canonical SMILES for 4-[2-(hydroxymethyl)phenoxy]-2-(propylamino)butanamide is CCCNC(CCOc1ccccc1CO)C(N)=O.
What is the InChIKey of 4-[2-(hydroxymethyl)phenoxy]-2-(propylamino)butanamide?
The InChIKey is ZVZLHSHOAFBKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-2-8-16-12(14(15)18)7-9-19-13-6-4-3-5-11(13)10-17/h3-6,12,16-17H,2,7-10H2,1H3,(H2,15,18).
What are the key properties of 4-[2-(hydroxymethyl)phenoxy]-2-(propylamino)butanamide?
4-[2-(hydroxymethyl)phenoxy]-2-(propylamino)butanamide has a molecular weight of 266.34 g/mol, XLogP of 0.80, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(hydroxymethyl)phenoxy]-2-(propylamino)butanamide is sourced from PubChem (CID 63652935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).