2-[[2-hydroxy-3-(3-methylphenoxy)propyl]-propan-2-ylamino]acetamide

C15H24N2O3 — CID 110882260

IUPAC2-[[2-hydroxy-3-(3-methylphenoxy)propyl]-propan-2-ylamino]acetamide
SMILESCc1cccc(OCC(O)CN(CC(N)=O)C(C)C)c1
InChIInChI=1S/C15H24N2O3/c1-11(2)17(9-15(16)19)8-13(18)10-20-14-6-4-5-12(3)7-14/h4-7,11,13,18H,8-10H2,1-3H3,(H2,16,19)
InChIKeyHDLWRTFJNIKTRK-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.93
Rot. Bonds8

About 2-[[2-hydroxy-3-(3-methylphenoxy)propyl]-propan-2-ylamino]acetamide

2-[[2-hydroxy-3-(3-methylphenoxy)propyl]-propan-2-ylamino]acetamide (PubChem CID 110882260) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[[2-hydroxy-3-(3-methylphenoxy)propyl]-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[[2-hydroxy-3-(3-methylphenoxy)propyl]-propan-2-ylamino]acetamide
PubChem CID110882260
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[[2-hydroxy-3-(3-methylphenoxy)propyl]-propan-2-ylamino]acetamide
SMILESCc1cccc(OCC(O)CN(CC(N)=O)C(C)C)c1
InChIInChI=1S/C15H24N2O3/c1-11(2)17(9-15(16)19)8-13(18)10-20-14-6-4-5-12(3)7-14/h4-7,11,13,18H,8-10H2,1-3H3,(H2,16,19)
InChIKeyHDLWRTFJNIKTRK-UHFFFAOYSA-N
XLogP0.93
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[benzyl(propan-2-yl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 125487705
2-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]-N-propan-2-ylacetamide
CID 32531014
2-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]acetamide
CID 60902288
methyl 2-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]propanoate
CID 61499402
1-(3-methylphenoxy)butan-2-ol
CID 13089920
4-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]butanamide
CID 54937901
2-[[2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]-N-phenylacetamide
CID 110888449
N-cyclopropyl-2-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]acetamide
CID 26005258
1-(dibenzylamino)-3-(3-methylphenoxy)propan-2-ol
CID 2916434
N-(4-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]methanesulfonamide
CID 71945504
1-(3-methylphenoxy)-3-[(4-methylphenyl)methylsulfonyl]propan-2-ol
CID 47561427
1-[butan-2-yl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 24717307

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-3-(3-methylphenoxy)propyl]-propan-2-ylamino]acetamide?
The IUPAC name of 2-[[2-hydroxy-3-(3-methylphenoxy)propyl]-propan-2-ylamino]acetamide (CID 110882260) is 2-[[2-hydroxy-3-(3-methylphenoxy)propyl]-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[[2-hydroxy-3-(3-methylphenoxy)propyl]-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[[2-hydroxy-3-(3-methylphenoxy)propyl]-propan-2-ylamino]acetamide is Cc1cccc(OCC(O)CN(CC(N)=O)C(C)C)c1.
What is the InChIKey of 2-[[2-hydroxy-3-(3-methylphenoxy)propyl]-propan-2-ylamino]acetamide?
The InChIKey is HDLWRTFJNIKTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-11(2)17(9-15(16)19)8-13(18)10-20-14-6-4-5-12(3)7-14/h4-7,11,13,18H,8-10H2,1-3H3,(H2,16,19).
What are the key properties of 2-[[2-hydroxy-3-(3-methylphenoxy)propyl]-propan-2-ylamino]acetamide?
2-[[2-hydroxy-3-(3-methylphenoxy)propyl]-propan-2-ylamino]acetamide has a molecular weight of 280.37 g/mol, XLogP of 0.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-3-(3-methylphenoxy)propyl]-propan-2-ylamino]acetamide is sourced from PubChem (CID 110882260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).