N-(1,3-dihydroxypropan-2-yl)-2-(3-methylphenoxy)propanamide

C13H19NO4 — CID 65315418

IUPACN-(1,3-dihydroxypropan-2-yl)-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(OC(C)C(=O)NC(CO)CO)c1
InChIInChI=1S/C13H19NO4/c1-9-4-3-5-12(6-9)18-10(2)13(17)14-11(7-15)8-16/h3-6,10-11,15-16H,7-8H2,1-2H3,(H,14,17)
InChIKeyDYZBBVLZJOILRQ-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.23
Rot. Bonds6

About N-(1,3-dihydroxypropan-2-yl)-2-(3-methylphenoxy)propanamide

N-(1,3-dihydroxypropan-2-yl)-2-(3-methylphenoxy)propanamide (PubChem CID 65315418) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)-2-(3-methylphenoxy)propanamide
PubChem CID65315418
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC NameN-(1,3-dihydroxypropan-2-yl)-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(OC(C)C(=O)NC(CO)CO)c1
InChIInChI=1S/C13H19NO4/c1-9-4-3-5-12(6-9)18-10(2)13(17)14-11(7-15)8-16/h3-6,10-11,15-16H,7-8H2,1-2H3,(H,14,17)
InChIKeyDYZBBVLZJOILRQ-UHFFFAOYSA-N
XLogP0.23
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-hydroxybutan-2-yl]-2-(3-methylphenoxy)propanamide
CID 104981564
(2R)-N-(2,4-dimethylpentan-3-yl)-2-(3-methylphenoxy)propanamide
CID 124561386
N-benzhydryl-2-(3-methylphenoxy)propanamide
CID 15978225
N-[(2R)-1-hydroxybutan-2-yl]-2-phenoxypropanamide
CID 103920159
(2R)-2-(3-methylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide
CID 92674586
2-(3-methylphenoxy)propanehydrazide
CID 3021693
2-(3-fluorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide
CID 43417847
2-(3-fluorophenoxy)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61246472
N-[1-(2,4-dimethylphenyl)propyl]-2-(3-methylphenoxy)propanamide
CID 132651072
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

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)-2-(3-methylphenoxy)propanamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)-2-(3-methylphenoxy)propanamide (CID 65315418) is N-(1,3-dihydroxypropan-2-yl)-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)-2-(3-methylphenoxy)propanamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)-2-(3-methylphenoxy)propanamide is Cc1cccc(OC(C)C(=O)NC(CO)CO)c1.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)-2-(3-methylphenoxy)propanamide?
The InChIKey is DYZBBVLZJOILRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-9-4-3-5-12(6-9)18-10(2)13(17)14-11(7-15)8-16/h3-6,10-11,15-16H,7-8H2,1-2H3,(H,14,17).
What are the key properties of N-(1,3-dihydroxypropan-2-yl)-2-(3-methylphenoxy)propanamide?
N-(1,3-dihydroxypropan-2-yl)-2-(3-methylphenoxy)propanamide has a molecular weight of 253.30 g/mol, XLogP of 0.23, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypropan-2-yl)-2-(3-methylphenoxy)propanamide is sourced from PubChem (CID 65315418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).