N-(1-hydroxypropan-2-yl)-2-(4-methylphenoxy)propanamide

C13H19NO3 — CID 43419032

IUPACN-(1-hydroxypropan-2-yl)-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)NC(C)CO)cc1
InChIInChI=1S/C13H19NO3/c1-9-4-6-12(7-5-9)17-11(3)13(16)14-10(2)8-15/h4-7,10-11,15H,8H2,1-3H3,(H,14,16)
InChIKeyMMJZHQUBBOCDRY-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.26
Rot. Bonds5

About N-(1-hydroxypropan-2-yl)-2-(4-methylphenoxy)propanamide

N-(1-hydroxypropan-2-yl)-2-(4-methylphenoxy)propanamide (PubChem CID 43419032) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-2-(4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-2-(4-methylphenoxy)propanamide
PubChem CID43419032
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-(1-hydroxypropan-2-yl)-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)NC(C)CO)cc1
InChIInChI=1S/C13H19NO3/c1-9-4-6-12(7-5-9)17-11(3)13(16)14-10(2)8-15/h4-7,10-11,15H,8H2,1-3H3,(H,14,16)
InChIKeyMMJZHQUBBOCDRY-UHFFFAOYSA-N
XLogP1.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-(4-methylphenoxy)propanamide
CID 42909893
(2R)-N-[(2S)-3-methylbutan-2-yl]-2-(4-methylphenoxy)propanamide
CID 94665564
2-[2-(4-methylphenoxy)propanoylamino]butanoic acid
CID 43387334
N-[4-(furan-2-yl)butan-2-yl]-2-(4-methylphenoxy)propanamide
CID 24641914
2-(4-methylphenoxy)-N-(2-methylpropyl)propanamide
CID 53282928
2-[2-(4-methylphenoxy)propanoylamino]pentanoic acid
CID 43630623
2-(4-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4221032
(2R)-N-[(2S)-butan-2-yl]-2-(4-methoxyphenoxy)propanamide
CID 925169
(2R)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(4-methylphenoxy)propanamide
CID 92680833
(2R)-2-(4-methylphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28572884
2-[4-(4-methylphenyl)phenoxy]propanehydrazide
CID 63568542
(2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenoxy)propanamide
CID 30398925

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-2-(4-methylphenoxy)propanamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-2-(4-methylphenoxy)propanamide (CID 43419032) is N-(1-hydroxypropan-2-yl)-2-(4-methylphenoxy)propanamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-2-(4-methylphenoxy)propanamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-2-(4-methylphenoxy)propanamide is Cc1ccc(OC(C)C(=O)NC(C)CO)cc1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-2-(4-methylphenoxy)propanamide?
The InChIKey is MMJZHQUBBOCDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9-4-6-12(7-5-9)17-11(3)13(16)14-10(2)8-15/h4-7,10-11,15H,8H2,1-3H3,(H,14,16).
What are the key properties of N-(1-hydroxypropan-2-yl)-2-(4-methylphenoxy)propanamide?
N-(1-hydroxypropan-2-yl)-2-(4-methylphenoxy)propanamide has a molecular weight of 237.30 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-2-(4-methylphenoxy)propanamide is sourced from PubChem (CID 43419032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).