(2R)-N-(methylcarbamoyl)-2-(3-methylphenoxy)propanamide

C12H16N2O3 — CID 7817429

IUPAC(2R)-N-(methylcarbamoyl)-2-(3-methylphenoxy)propanamide
SMILESCNC(=O)NC(=O)[C@@H](C)Oc1cccc(C)c1
InChIInChI=1S/C12H16N2O3/c1-8-5-4-6-10(7-8)17-9(2)11(15)14-12(16)13-3/h4-7,9H,1-3H3,(H2,13,14,15,16)/t9-/m1/s1
InChIKeyYOIXUIQXBBQGHS-SECBINFHSA-N
MW236.27 g/mol
LogP1.22
Rot. Bonds3

About (2R)-N-(methylcarbamoyl)-2-(3-methylphenoxy)propanamide

(2R)-N-(methylcarbamoyl)-2-(3-methylphenoxy)propanamide (PubChem CID 7817429) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is (2R)-N-(methylcarbamoyl)-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(methylcarbamoyl)-2-(3-methylphenoxy)propanamide
PubChem CID7817429
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name(2R)-N-(methylcarbamoyl)-2-(3-methylphenoxy)propanamide
SMILESCNC(=O)NC(=O)[C@@H](C)Oc1cccc(C)c1
InChIInChI=1S/C12H16N2O3/c1-8-5-4-6-10(7-8)17-9(2)11(15)14-12(16)13-3/h4-7,9H,1-3H3,(H2,13,14,15,16)/t9-/m1/s1
InChIKeyYOIXUIQXBBQGHS-SECBINFHSA-N
XLogP1.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(aminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 43115863
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-(3-methylphenoxy)propanoate
CID 9139385
2-(3-methylphenoxy)propanehydrazide
CID 3021693
(2R)-N-(2,4-dimethylpentan-3-yl)-2-(3-methylphenoxy)propanamide
CID 124561386
2-(3-methylphenoxy)-N-[2-[2-(3-methylphenoxy)propanoylamino]phenyl]propanamide
CID 4211486
(2R)-2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 7946484
2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 4931056
(2S)-N-(3,5-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 2168120
N-methyl-4-[2-(3-methylphenoxy)propanoylamino]benzamide
CID 43888206
N-(1,3-dihydroxypropan-2-yl)-2-(3-methylphenoxy)propanamide
CID 65315418
N-(methylcarbamoyl)-2-(2-methylphenoxy)propanamide
CID 60625654
N-benzhydryl-2-(3-methylphenoxy)propanamide
CID 15978225

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(methylcarbamoyl)-2-(3-methylphenoxy)propanamide?
The IUPAC name of (2R)-N-(methylcarbamoyl)-2-(3-methylphenoxy)propanamide (CID 7817429) is (2R)-N-(methylcarbamoyl)-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-(methylcarbamoyl)-2-(3-methylphenoxy)propanamide?
The canonical SMILES for (2R)-N-(methylcarbamoyl)-2-(3-methylphenoxy)propanamide is CNC(=O)NC(=O)[C@@H](C)Oc1cccc(C)c1.
What is the InChIKey of (2R)-N-(methylcarbamoyl)-2-(3-methylphenoxy)propanamide?
The InChIKey is YOIXUIQXBBQGHS-SECBINFHSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8-5-4-6-10(7-8)17-9(2)11(15)14-12(16)13-3/h4-7,9H,1-3H3,(H2,13,14,15,16)/t9-/m1/s1.
What are the key properties of (2R)-N-(methylcarbamoyl)-2-(3-methylphenoxy)propanamide?
(2R)-N-(methylcarbamoyl)-2-(3-methylphenoxy)propanamide has a molecular weight of 236.27 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(methylcarbamoyl)-2-(3-methylphenoxy)propanamide is sourced from PubChem (CID 7817429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).