2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylpropanamide

C14H22N2O4 — CID 61219801

IUPAC2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylpropanamide
SMILESCOc1cccc(OCC(O)CNC(C)(C)C(N)=O)c1
InChIInChI=1S/C14H22N2O4/c1-14(2,13(15)18)16-8-10(17)9-20-12-6-4-5-11(7-12)19-3/h4-7,10,16-17H,8-9H2,1-3H3,(H2,15,18)
InChIKeyOIEFKYNEHVUXNQ-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.29
Rot. Bonds8

About 2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylpropanamide

2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylpropanamide (PubChem CID 61219801) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylpropanamide
PubChem CID61219801
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylpropanamide
SMILESCOc1cccc(OCC(O)CNC(C)(C)C(N)=O)c1
InChIInChI=1S/C14H22N2O4/c1-14(2,13(15)18)16-8-10(17)9-20-12-6-4-5-11(7-12)19-3/h4-7,10,16-17H,8-9H2,1-3H3,(H2,15,18)
InChIKeyOIEFKYNEHVUXNQ-UHFFFAOYSA-N
XLogP0.29
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxyphenoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol;hydrochloride
CID 2770265
(2S)-1-[[(2S)-3,3-dimethylbutan-2-yl]amino]-3-(3-methoxyphenoxy)propan-2-ol
CID 39826278
2-ethyl-2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]butan-1-ol
CID 62518668
1-(1-hydroxypropan-2-ylamino)-3-(3-methoxyphenoxy)propan-2-ol
CID 60909725
1-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylbutan-2-ol
CID 65111868
1-(2,2-difluoroethylamino)-3-(3-methoxyphenoxy)propan-2-ol
CID 115406734
1-(2-iodoanilino)-3-(3-methoxyphenoxy)propan-2-ol
CID 60901769
1-(3-methoxyphenoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol
CID 64642037
1-(3-methoxyphenoxy)-5-methylhexan-2-ol
CID 157099262
1-(3-aminophenoxy)-3-(3-methoxyphenoxy)propan-2-ol
CID 62269535
methyl 2-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]propanoate
CID 61499402
3-[[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]methyl]pentan-3-ol
CID 65111897

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylpropanamide?
The IUPAC name of 2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylpropanamide (CID 61219801) is 2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylpropanamide.
What is the SMILES notation for 2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylpropanamide?
The canonical SMILES for 2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylpropanamide is COc1cccc(OCC(O)CNC(C)(C)C(N)=O)c1.
What is the InChIKey of 2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylpropanamide?
The InChIKey is OIEFKYNEHVUXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-14(2,13(15)18)16-8-10(17)9-20-12-6-4-5-11(7-12)19-3/h4-7,10,16-17H,8-9H2,1-3H3,(H2,15,18).
What are the key properties of 2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylpropanamide?
2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylpropanamide has a molecular weight of 282.34 g/mol, XLogP of 0.29, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylpropanamide is sourced from PubChem (CID 61219801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).