4-[3-(hydroxymethyl)phenoxy]-2-methyl-2-(propylamino)pentanamide

C16H26N2O3 — CID 64707747

IUPAC4-[3-(hydroxymethyl)phenoxy]-2-methyl-2-(propylamino)pentanamide
SMILESCCCNC(C)(CC(C)Oc1cccc(CO)c1)C(N)=O
InChIInChI=1S/C16H26N2O3/c1-4-8-18-16(3,15(17)20)10-12(2)21-14-7-5-6-13(9-14)11-19/h5-7,9,12,18-19H,4,8,10-11H2,1-3H3,(H2,17,20)
InChIKeyHOXLWZRFMSDHSH-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.58
Rot. Bonds9

About 4-[3-(hydroxymethyl)phenoxy]-2-methyl-2-(propylamino)pentanamide

4-[3-(hydroxymethyl)phenoxy]-2-methyl-2-(propylamino)pentanamide (PubChem CID 64707747) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 4-[3-(hydroxymethyl)phenoxy]-2-methyl-2-(propylamino)pentanamide.

Molecular Properties

Compound Name4-[3-(hydroxymethyl)phenoxy]-2-methyl-2-(propylamino)pentanamide
PubChem CID64707747
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name4-[3-(hydroxymethyl)phenoxy]-2-methyl-2-(propylamino)pentanamide
SMILESCCCNC(C)(CC(C)Oc1cccc(CO)c1)C(N)=O
InChIInChI=1S/C16H26N2O3/c1-4-8-18-16(3,15(17)20)10-12(2)21-14-7-5-6-13(9-14)11-19/h5-7,9,12,18-19H,4,8,10-11H2,1-3H3,(H2,17,20)
InChIKeyHOXLWZRFMSDHSH-UHFFFAOYSA-N
XLogP1.58
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methoxyphenoxy)-2-methyl-2-(propylamino)pentanamide
CID 64706836
4-(3-ethylphenoxy)-2-methyl-2-(propylamino)pentanoic acid
CID 64706561
2-(ethylamino)-4-(3-ethylphenoxy)-2-methylpentanoic acid
CID 64707386
4-(3-ethoxyphenoxy)-2-methyl-2-(methylamino)pentanamide
CID 64719136
2-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(propylamino)pentanamide
CID 64709010
4-(3-ethylphenoxy)-2-methyl-2-(methylamino)pentanoic acid
CID 64706563
4-(4-ethoxyphenoxy)-2-(ethylamino)-2-methylpentanamide
CID 64705782
2-methyl-4-(3-methylphenoxy)-2-(propylamino)pentan-1-ol
CID 64802099
4-(3-ethylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64707593
2-methyl-3-phenyl-2-(propylamino)propanamide
CID 114988742
4-(3,5-difluorophenoxy)-2-methyl-2-(propylamino)pentanoic acid
CID 64719812
4-(4-fluorophenoxy)-2-methyl-2-(propylamino)pentanoic acid
CID 64706231

Frequently Asked Questions

What is the IUPAC name of 4-[3-(hydroxymethyl)phenoxy]-2-methyl-2-(propylamino)pentanamide?
The IUPAC name of 4-[3-(hydroxymethyl)phenoxy]-2-methyl-2-(propylamino)pentanamide (CID 64707747) is 4-[3-(hydroxymethyl)phenoxy]-2-methyl-2-(propylamino)pentanamide.
What is the SMILES notation for 4-[3-(hydroxymethyl)phenoxy]-2-methyl-2-(propylamino)pentanamide?
The canonical SMILES for 4-[3-(hydroxymethyl)phenoxy]-2-methyl-2-(propylamino)pentanamide is CCCNC(C)(CC(C)Oc1cccc(CO)c1)C(N)=O.
What is the InChIKey of 4-[3-(hydroxymethyl)phenoxy]-2-methyl-2-(propylamino)pentanamide?
The InChIKey is HOXLWZRFMSDHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-8-18-16(3,15(17)20)10-12(2)21-14-7-5-6-13(9-14)11-19/h5-7,9,12,18-19H,4,8,10-11H2,1-3H3,(H2,17,20).
What are the key properties of 4-[3-(hydroxymethyl)phenoxy]-2-methyl-2-(propylamino)pentanamide?
4-[3-(hydroxymethyl)phenoxy]-2-methyl-2-(propylamino)pentanamide has a molecular weight of 294.39 g/mol, XLogP of 1.58, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(hydroxymethyl)phenoxy]-2-methyl-2-(propylamino)pentanamide is sourced from PubChem (CID 64707747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).