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

C15H24N2O4 — CID 103914023

IUPAC2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-3-methylbutanamide
SMILESCOc1ccccc1OCC(O)CNC(C(N)=O)C(C)C
InChIInChI=1S/C15H24N2O4/c1-10(2)14(15(16)19)17-8-11(18)9-21-13-7-5-4-6-12(13)20-3/h4-7,10-11,14,17-18H,8-9H2,1-3H3,(H2,16,19)
InChIKeyYUKYUIWDSALGMJ-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.53
Rot. Bonds9

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

2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-3-methylbutanamide (PubChem CID 103914023) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-3-methylbutanamide
PubChem CID103914023
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-3-methylbutanamide
SMILESCOc1ccccc1OCC(O)CNC(C(N)=O)C(C)C
InChIInChI=1S/C15H24N2O4/c1-10(2)14(15(16)19)17-8-11(18)9-21-13-7-5-4-6-12(13)20-3/h4-7,10-11,14,17-18H,8-9H2,1-3H3,(H2,16,19)
InChIKeyYUKYUIWDSALGMJ-UHFFFAOYSA-N
XLogP0.53
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol
CID 40840939
methyl 2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]-3-methylbutanoate
CID 60910141
2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]-3-methylbutanamide
CID 103914070
2-[[3-(3-bromophenoxy)-2-hydroxypropyl]amino]-3-methylbutanamide
CID 103913988
2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-3-methylbutanamide
CID 103914300
3-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanamide
CID 91518700
2-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
CID 21397664
1-(4-methoxynaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol
CID 3015023
2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N-methylacetamide
CID 60901229
1-(4-amino-2-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 154192524
N-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-methoxybenzamide
CID 800926
3-(2-methoxyphenoxy)propane-1,2-diol
CID 3516

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-3-methylbutanamide?
The IUPAC name of 2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-3-methylbutanamide (CID 103914023) is 2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-3-methylbutanamide.
What is the SMILES notation for 2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-3-methylbutanamide?
The canonical SMILES for 2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-3-methylbutanamide is COc1ccccc1OCC(O)CNC(C(N)=O)C(C)C.
What is the InChIKey of 2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-3-methylbutanamide?
The InChIKey is YUKYUIWDSALGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-10(2)14(15(16)19)17-8-11(18)9-21-13-7-5-4-6-12(13)20-3/h4-7,10-11,14,17-18H,8-9H2,1-3H3,(H2,16,19).
What are the key properties of 2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-3-methylbutanamide?
2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-3-methylbutanamide has a molecular weight of 296.37 g/mol, XLogP of 0.53, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-3-methylbutanamide is sourced from PubChem (CID 103914023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).