2-[2-[(1S)-1-hydroxypropyl]phenoxy]-N-(2-methylpropyl)acetamide

C15H23NO3 — CID 55190392

IUPAC2-[2-[(1S)-1-hydroxypropyl]phenoxy]-N-(2-methylpropyl)acetamide
SMILESCC[C@H](O)c1ccccc1OCC(=O)NCC(C)C
InChIInChI=1S/C15H23NO3/c1-4-13(17)12-7-5-6-8-14(12)19-10-15(18)16-9-11(2)3/h5-8,11,13,17H,4,9-10H2,1-3H3,(H,16,18)/t13-/m0/s1
InChIKeyKSBVWOWYTCLCQE-ZDUSSCGKSA-N
MW265.35 g/mol
LogP2.28
Rot. Bonds7

About 2-[2-[(1S)-1-hydroxypropyl]phenoxy]-N-(2-methylpropyl)acetamide

2-[2-[(1S)-1-hydroxypropyl]phenoxy]-N-(2-methylpropyl)acetamide (PubChem CID 55190392) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[2-[(1S)-1-hydroxypropyl]phenoxy]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[2-[(1S)-1-hydroxypropyl]phenoxy]-N-(2-methylpropyl)acetamide
PubChem CID55190392
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[2-[(1S)-1-hydroxypropyl]phenoxy]-N-(2-methylpropyl)acetamide
SMILESCC[C@H](O)c1ccccc1OCC(=O)NCC(C)C
InChIInChI=1S/C15H23NO3/c1-4-13(17)12-7-5-6-8-14(12)19-10-15(18)16-9-11(2)3/h5-8,11,13,17H,4,9-10H2,1-3H3,(H,16,18)/t13-/m0/s1
InChIKeyKSBVWOWYTCLCQE-ZDUSSCGKSA-N
XLogP2.28
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(1R)-1-hydroxypropyl]phenoxy]-N-(2-methylpropyl)acetamide
CID 78930255
N-(cyanomethyl)-2-[2-(1-hydroxypropyl)phenoxy]acetamide
CID 43503572
2-[2-[(1S)-1-hydroxypropyl]phenoxy]-N-prop-2-ynylacetamide
CID 55190391
2-[2-(1-hydroxypropyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 61489531
2-(2-hydroxyphenoxy)-N-(2-methylpropyl)acetamide
CID 43087121
N-(2-hydroxy-4-methylpentyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 103771540
N-ethyl-2-[2-(1-hydroxyethyl)phenoxy]acetamide
CID 43504037
2-[2-(1-hydroxypropyl)phenoxy]acetamide
CID 43503607
2-[2-[(1R)-1-aminoethyl]phenoxy]-N-ethylacetamide
CID 30118137
2-[2-(1-hydroxyethyl)phenoxy]-N-propylacetamide
CID 43503995
ethyl 2-[2-(1-hydroxypropyl)phenoxy]acetate
CID 43503550
2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-(2-methylpropyl)acetamide
CID 49167933

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1S)-1-hydroxypropyl]phenoxy]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[2-[(1S)-1-hydroxypropyl]phenoxy]-N-(2-methylpropyl)acetamide (CID 55190392) is 2-[2-[(1S)-1-hydroxypropyl]phenoxy]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[2-[(1S)-1-hydroxypropyl]phenoxy]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[2-[(1S)-1-hydroxypropyl]phenoxy]-N-(2-methylpropyl)acetamide is CC[C@H](O)c1ccccc1OCC(=O)NCC(C)C.
What is the InChIKey of 2-[2-[(1S)-1-hydroxypropyl]phenoxy]-N-(2-methylpropyl)acetamide?
The InChIKey is KSBVWOWYTCLCQE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-13(17)12-7-5-6-8-14(12)19-10-15(18)16-9-11(2)3/h5-8,11,13,17H,4,9-10H2,1-3H3,(H,16,18)/t13-/m0/s1.
What are the key properties of 2-[2-[(1S)-1-hydroxypropyl]phenoxy]-N-(2-methylpropyl)acetamide?
2-[2-[(1S)-1-hydroxypropyl]phenoxy]-N-(2-methylpropyl)acetamide has a molecular weight of 265.35 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1S)-1-hydroxypropyl]phenoxy]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 55190392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).