2-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]-N-propan-2-ylacetamide

C16H26N2O3 — CID 32531014

IUPAC2-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]-N-propan-2-ylacetamide
SMILESCc1cccc(OC[C@@H](O)CN(C)CC(=O)NC(C)C)c1
InChIInChI=1S/C16H26N2O3/c1-12(2)17-16(20)10-18(4)9-14(19)11-21-15-7-5-6-13(3)8-15/h5-8,12,14,19H,9-11H2,1-4H3,(H,17,20)/t14-/m0/s1
InChIKeyDZQQXPKJNSARFP-AWEZNQCLSA-N
MW294.39 g/mol
LogP1.19
Rot. Bonds8

About 2-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]-N-propan-2-ylacetamide

2-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]-N-propan-2-ylacetamide (PubChem CID 32531014) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]-N-propan-2-ylacetamide
PubChem CID32531014
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name2-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]-N-propan-2-ylacetamide
SMILESCc1cccc(OC[C@@H](O)CN(C)CC(=O)NC(C)C)c1
InChIInChI=1S/C16H26N2O3/c1-12(2)17-16(20)10-18(4)9-14(19)11-21-15-7-5-6-13(3)8-15/h5-8,12,14,19H,9-11H2,1-4H3,(H,17,20)/t14-/m0/s1
InChIKeyDZQQXPKJNSARFP-AWEZNQCLSA-N
XLogP1.19
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-methylamino]-N-propan-2-ylacetamide
CID 32530996
N-cyclopropyl-2-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]acetamide
CID 26005258
2-[[2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]-N-phenylacetamide
CID 110888449
2-[[2-hydroxy-3-(3-methylphenoxy)propyl]-propan-2-ylamino]acetamide
CID 110882260
1-(3-methylphenoxy)-3-[methyl(2-phenylethyl)amino]propan-2-ol
CID 117068437
(2R)-1-(3-methylphenoxy)-3-[methyl(2-phenylethyl)amino]propan-2-ol
CID 94391448
2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 78831974
2-[methyl-[2-(3-methylphenyl)-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 62036179
1-(3-methylphenoxy)-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 3490148
2-[cyclopropyl(methyl)amino]-N-[2-hydroxy-3-(3-methylphenoxy)propyl]acetamide
CID 110911248
1-[methyl-[2-(3-methylphenoxy)ethyl]amino]-3-propan-2-yloxypropan-2-ol
CID 78820677
1-(3-methylphenoxy)butan-2-ol
CID 13089920

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]-N-propan-2-ylacetamide (CID 32531014) is 2-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]-N-propan-2-ylacetamide is Cc1cccc(OC[C@@H](O)CN(C)CC(=O)NC(C)C)c1.
What is the InChIKey of 2-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]-N-propan-2-ylacetamide?
The InChIKey is DZQQXPKJNSARFP-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-12(2)17-16(20)10-18(4)9-14(19)11-21-15-7-5-6-13(3)8-15/h5-8,12,14,19H,9-11H2,1-4H3,(H,17,20)/t14-/m0/s1.
What are the key properties of 2-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]-N-propan-2-ylacetamide?
2-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]-N-propan-2-ylacetamide has a molecular weight of 294.39 g/mol, XLogP of 1.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 32531014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).