2-[[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-methylamino]-N-propan-2-ylacetamide

C16H26N2O3 — CID 32530996

IUPAC2-[[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-methylamino]-N-propan-2-ylacetamide
SMILESCc1ccc(OC[C@H](O)CN(C)CC(=O)NC(C)C)cc1
InChIInChI=1S/C16H26N2O3/c1-12(2)17-16(20)10-18(4)9-14(19)11-21-15-7-5-13(3)6-8-15/h5-8,12,14,19H,9-11H2,1-4H3,(H,17,20)/t14-/m1/s1
InChIKeyRWCLVQQLAQZNHC-CQSZACIVSA-N
MW294.39 g/mol
LogP1.19
Rot. Bonds8

About 2-[[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-methylamino]-N-propan-2-ylacetamide

2-[[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-methylamino]-N-propan-2-ylacetamide (PubChem CID 32530996) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-[[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-methylamino]-N-propan-2-ylacetamide
PubChem CID32530996
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name2-[[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-methylamino]-N-propan-2-ylacetamide
SMILESCc1ccc(OC[C@H](O)CN(C)CC(=O)NC(C)C)cc1
InChIInChI=1S/C16H26N2O3/c1-12(2)17-16(20)10-18(4)9-14(19)11-21-15-7-5-13(3)6-8-15/h5-8,12,14,19H,9-11H2,1-4H3,(H,17,20)/t14-/m1/s1
InChIKeyRWCLVQQLAQZNHC-CQSZACIVSA-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-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]-N-propan-2-ylacetamide
CID 32531014
N-tert-butyl-2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]acetamide
CID 110882203
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 18197658
(2R)-2-[[2-hydroxy-3-(4-methylphenoxy)propyl]-methylamino]propanamide
CID 110027696
2-(N-[3-(4-chlorophenoxy)-2-hydroxypropyl]anilino)-N-propan-2-ylacetamide
CID 12801064
2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]-methylamino]-N-phenylacetamide
CID 110888444
1-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-3-(4-methylphenoxy)propan-2-ol
CID 111858601
2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 78831974
N-(2-aminoethyl)-2-[[2-(2-aminoethylamino)-2-oxoethyl]-[2-hydroxy-3-(4-methylphenoxy)propyl]amino]acetamide
CID 59029912
2-[[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]-methylamino]-N-propan-2-ylacetamide
CID 110882190
N-(2,6-dimethylphenyl)-2-[[2-hydroxy-3-(4-propanoylphenoxy)propyl]-methylamino]acetamide
CID 78831938
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 62014386

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-methylamino]-N-propan-2-ylacetamide (CID 32530996) is 2-[[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-methylamino]-N-propan-2-ylacetamide is Cc1ccc(OC[C@H](O)CN(C)CC(=O)NC(C)C)cc1.
What is the InChIKey of 2-[[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-methylamino]-N-propan-2-ylacetamide?
The InChIKey is RWCLVQQLAQZNHC-CQSZACIVSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-12(2)17-16(20)10-18(4)9-14(19)11-21-15-7-5-13(3)6-8-15/h5-8,12,14,19H,9-11H2,1-4H3,(H,17,20)/t14-/m1/s1.
What are the key properties of 2-[[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-methylamino]-N-propan-2-ylacetamide?
2-[[(2R)-2-hydroxy-3-(4-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-[[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 32530996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).