4-(3-methoxyphenoxy)-2-methyl-2-(propylamino)pentanamide

C16H26N2O3 — CID 64706836

IUPAC4-(3-methoxyphenoxy)-2-methyl-2-(propylamino)pentanamide
SMILESCCCNC(C)(CC(C)Oc1cccc(OC)c1)C(N)=O
InChIInChI=1S/C16H26N2O3/c1-5-9-18-16(3,15(17)19)11-12(2)21-14-8-6-7-13(10-14)20-4/h6-8,10,12,18H,5,9,11H2,1-4H3,(H2,17,19)
InChIKeyMODGFXNBENGXEB-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.10
Rot. Bonds9

About 4-(3-methoxyphenoxy)-2-methyl-2-(propylamino)pentanamide

4-(3-methoxyphenoxy)-2-methyl-2-(propylamino)pentanamide (PubChem CID 64706836) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 4-(3-methoxyphenoxy)-2-methyl-2-(propylamino)pentanamide.

Molecular Properties

Compound Name4-(3-methoxyphenoxy)-2-methyl-2-(propylamino)pentanamide
PubChem CID64706836
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name4-(3-methoxyphenoxy)-2-methyl-2-(propylamino)pentanamide
SMILESCCCNC(C)(CC(C)Oc1cccc(OC)c1)C(N)=O
InChIInChI=1S/C16H26N2O3/c1-5-9-18-16(3,15(17)19)11-12(2)21-14-8-6-7-13(10-14)20-4/h6-8,10,12,18H,5,9,11H2,1-4H3,(H2,17,19)
InChIKeyMODGFXNBENGXEB-UHFFFAOYSA-N
XLogP2.10
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(hydroxymethyl)phenoxy]-2-methyl-2-(propylamino)pentanamide
CID 64707747
4-(3-ethylphenoxy)-2-methyl-2-(propylamino)pentanoic acid
CID 64706561
4-(3-ethoxyphenoxy)-2-methyl-2-(methylamino)pentanamide
CID 64719136
4-(4-methoxyphenoxy)-2-methyl-2-(methylamino)pentanamide
CID 64705841
2-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(propylamino)pentanamide
CID 64709010
2-amino-4-(3-methoxyphenoxy)-2-methylpentan-1-ol
CID 64805220
4-(4-ethoxyphenoxy)-2-(ethylamino)-2-methylpentanamide
CID 64705782
(2S)-2-(3-methoxyphenoxy)-N-propylpropanamide
CID 30392232
4-(4-fluorophenoxy)-2-methyl-2-(propylamino)pentanoic acid
CID 64706231
2-methyl-4-(3-methylphenoxy)-2-(propylamino)pentan-1-ol
CID 64802099
2-amino-N-[2-(3-methoxyphenoxy)propyl]-2-methylpentanamide;hydrochloride
CID 119804565
methyl 2-(ethylamino)-2-methyl-4-phenoxypentanoate
CID 64706852

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenoxy)-2-methyl-2-(propylamino)pentanamide?
The IUPAC name of 4-(3-methoxyphenoxy)-2-methyl-2-(propylamino)pentanamide (CID 64706836) is 4-(3-methoxyphenoxy)-2-methyl-2-(propylamino)pentanamide.
What is the SMILES notation for 4-(3-methoxyphenoxy)-2-methyl-2-(propylamino)pentanamide?
The canonical SMILES for 4-(3-methoxyphenoxy)-2-methyl-2-(propylamino)pentanamide is CCCNC(C)(CC(C)Oc1cccc(OC)c1)C(N)=O.
What is the InChIKey of 4-(3-methoxyphenoxy)-2-methyl-2-(propylamino)pentanamide?
The InChIKey is MODGFXNBENGXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-5-9-18-16(3,15(17)19)11-12(2)21-14-8-6-7-13(10-14)20-4/h6-8,10,12,18H,5,9,11H2,1-4H3,(H2,17,19).
What are the key properties of 4-(3-methoxyphenoxy)-2-methyl-2-(propylamino)pentanamide?
4-(3-methoxyphenoxy)-2-methyl-2-(propylamino)pentanamide has a molecular weight of 294.39 g/mol, XLogP of 2.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenoxy)-2-methyl-2-(propylamino)pentanamide is sourced from PubChem (CID 64706836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).