N-[2-[[(3R)-3-methyloxiran-2-yl]methoxy]phenyl]acetamide

C12H15NO3 — CID 141051688

IUPACN-[2-[[(3R)-3-methyloxiran-2-yl]methoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1OCC1O[C@@H]1C
InChIInChI=1S/C12H15NO3/c1-8-12(16-8)7-15-11-6-4-3-5-10(11)13-9(2)14/h3-6,8,12H,7H2,1-2H3,(H,13,14)/t8-,12?/m1/s1
InChIKeyMSKWDNYJWZXAMO-SZSXPDSJSA-N
MW221.26 g/mol
LogP1.81
Rot. Bonds4

About N-[2-[[(3R)-3-methyloxiran-2-yl]methoxy]phenyl]acetamide

N-[2-[[(3R)-3-methyloxiran-2-yl]methoxy]phenyl]acetamide (PubChem CID 141051688) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-[2-[[(3R)-3-methyloxiran-2-yl]methoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[[(3R)-3-methyloxiran-2-yl]methoxy]phenyl]acetamide
PubChem CID141051688
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC NameN-[2-[[(3R)-3-methyloxiran-2-yl]methoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1OCC1O[C@@H]1C
InChIInChI=1S/C12H15NO3/c1-8-12(16-8)7-15-11-6-4-3-5-10(11)13-9(2)14/h3-6,8,12H,7H2,1-2H3,(H,13,14)/t8-,12?/m1/s1
InChIKeyMSKWDNYJWZXAMO-SZSXPDSJSA-N
XLogP1.81
TPSA50.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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N-[2-[2-(2-hydroxyethoxy)ethoxy]phenyl]acetamide
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[2-[[(2R)-oxiran-2-yl]methoxy]phenyl]urea
CID 86760859
(E)-4-(2-acetamidophenoxy)but-2-enoic acid
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Frequently Asked Questions

What is the IUPAC name of N-[2-[[(3R)-3-methyloxiran-2-yl]methoxy]phenyl]acetamide?
The IUPAC name of N-[2-[[(3R)-3-methyloxiran-2-yl]methoxy]phenyl]acetamide (CID 141051688) is N-[2-[[(3R)-3-methyloxiran-2-yl]methoxy]phenyl]acetamide.
What is the SMILES notation for N-[2-[[(3R)-3-methyloxiran-2-yl]methoxy]phenyl]acetamide?
The canonical SMILES for N-[2-[[(3R)-3-methyloxiran-2-yl]methoxy]phenyl]acetamide is CC(=O)Nc1ccccc1OCC1O[C@@H]1C.
What is the InChIKey of N-[2-[[(3R)-3-methyloxiran-2-yl]methoxy]phenyl]acetamide?
The InChIKey is MSKWDNYJWZXAMO-SZSXPDSJSA-N. The full InChI is InChI=1S/C12H15NO3/c1-8-12(16-8)7-15-11-6-4-3-5-10(11)13-9(2)14/h3-6,8,12H,7H2,1-2H3,(H,13,14)/t8-,12?/m1/s1.
What are the key properties of N-[2-[[(3R)-3-methyloxiran-2-yl]methoxy]phenyl]acetamide?
N-[2-[[(3R)-3-methyloxiran-2-yl]methoxy]phenyl]acetamide has a molecular weight of 221.26 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(3R)-3-methyloxiran-2-yl]methoxy]phenyl]acetamide is sourced from PubChem (CID 141051688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).