2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]-N-(methylcarbamoyl)propanamide

C14H20N2O5 — CID 82003429

IUPAC2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)Oc1cc(OC)ccc1[C@@H](C)O
InChIInChI=1S/C14H20N2O5/c1-8(17)11-6-5-10(20-4)7-12(11)21-9(2)13(18)16-14(19)15-3/h5-9,17H,1-4H3,(H2,15,16,18,19)/t8-,9?/m1/s1
InChIKeyPTYJVSYZOROORG-VEDVMXKPSA-N
MW296.32 g/mol
LogP0.97
Rot. Bonds5

About 2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]-N-(methylcarbamoyl)propanamide

2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]-N-(methylcarbamoyl)propanamide (PubChem CID 82003429) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]-N-(methylcarbamoyl)propanamide
PubChem CID82003429
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)Oc1cc(OC)ccc1[C@@H](C)O
InChIInChI=1S/C14H20N2O5/c1-8(17)11-6-5-10(20-4)7-12(11)21-9(2)13(18)16-14(19)15-3/h5-9,17H,1-4H3,(H2,15,16,18,19)/t8-,9?/m1/s1
InChIKeyPTYJVSYZOROORG-VEDVMXKPSA-N
XLogP0.97
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(1-aminoethyl)-5-methoxyphenoxy]-N-(methylcarbamoyl)propanamide
CID 82000761
2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-(methylcarbamoyl)propanamide
CID 63366328
2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]propanamide
CID 82001124
2-[2-(1-hydroxyethyl)-5-methoxyphenoxy]-N-(2-methoxyethyl)propanamide
CID 82003316
2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]-N,N-dimethylpropanamide
CID 82001811
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
N-(methylcarbamoyl)-2-(2-methylphenoxy)propanamide
CID 60625654
2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]propanenitrile
CID 82000965
4-methoxy-3-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 43117185
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate
CID 8604428
methyl 2-[2-(1-aminoethyl)-5-methoxyphenoxy]propanoate
CID 82000173
N-(ethylcarbamoyl)-2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]propanamide
CID 63650613

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]-N-(methylcarbamoyl)propanamide (CID 82003429) is 2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)Oc1cc(OC)ccc1[C@@H](C)O.
What is the InChIKey of 2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]-N-(methylcarbamoyl)propanamide?
The InChIKey is PTYJVSYZOROORG-VEDVMXKPSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-8(17)11-6-5-10(20-4)7-12(11)21-9(2)13(18)16-14(19)15-3/h5-9,17H,1-4H3,(H2,15,16,18,19)/t8-,9?/m1/s1.
What are the key properties of 2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]-N-(methylcarbamoyl)propanamide?
2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]-N-(methylcarbamoyl)propanamide has a molecular weight of 296.32 g/mol, XLogP of 0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 82003429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).