N-carbamoyl-2-[2-(hydroxymethyl)-6-methylphenoxy]propanamide

C12H16N2O4 — CID 112612470

IUPACN-carbamoyl-2-[2-(hydroxymethyl)-6-methylphenoxy]propanamide
SMILESCc1cccc(CO)c1OC(C)C(=O)NC(N)=O
InChIInChI=1S/C12H16N2O4/c1-7-4-3-5-9(6-15)10(7)18-8(2)11(16)14-12(13)17/h3-5,8,15H,6H2,1-2H3,(H3,13,14,16,17)
InChIKeyNVGNCILWVKWQLB-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.45
Rot. Bonds4

About N-carbamoyl-2-[2-(hydroxymethyl)-6-methylphenoxy]propanamide

N-carbamoyl-2-[2-(hydroxymethyl)-6-methylphenoxy]propanamide (PubChem CID 112612470) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-carbamoyl-2-[2-(hydroxymethyl)-6-methylphenoxy]propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-[2-(hydroxymethyl)-6-methylphenoxy]propanamide
PubChem CID112612470
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC NameN-carbamoyl-2-[2-(hydroxymethyl)-6-methylphenoxy]propanamide
SMILESCc1cccc(CO)c1OC(C)C(=O)NC(N)=O
InChIInChI=1S/C12H16N2O4/c1-7-4-3-5-9(6-15)10(7)18-8(2)11(16)14-12(13)17/h3-5,8,15H,6H2,1-2H3,(H3,13,14,16,17)
InChIKeyNVGNCILWVKWQLB-UHFFFAOYSA-N
XLogP0.45
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(hydroxymethyl)-6-methylphenoxy]-N-propylpropanamide
CID 112612370
3-[2-(hydroxymethyl)-6-methylphenoxy]butan-2-ol
CID 112612422
2-[2-(ethylaminomethyl)-6-methylphenoxy]propanamide
CID 112609092
2-[2-(aminomethyl)-6-methylphenoxy]-N-(2-methylpropyl)propanamide
CID 112607249
N-carbamoyl-2-[4-(hydroxymethyl)phenoxy]propanamide
CID 43082828
2-[2-(2-aminoethyl)-6-methylphenoxy]-N-tert-butylpropanamide
CID 115957613
N-carbamoyl-2-[3-[(1R)-1-hydroxyethyl]phenoxy]propanamide
CID 63365371
2-[2-(hydroxymethyl)-6-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 112612258
2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(ethylcarbamoyl)propanamide
CID 115956282
2-[2-(2-aminoethyl)-6-methylphenoxy]-N-cyclopropylpropanamide
CID 112614872
N-carbamoyl-2-(4-cyano-2,6-dimethylphenoxy)propanamide
CID 65471706
2-(2,6-dimethylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 46761712

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[2-(hydroxymethyl)-6-methylphenoxy]propanamide?
The IUPAC name of N-carbamoyl-2-[2-(hydroxymethyl)-6-methylphenoxy]propanamide (CID 112612470) is N-carbamoyl-2-[2-(hydroxymethyl)-6-methylphenoxy]propanamide.
What is the SMILES notation for N-carbamoyl-2-[2-(hydroxymethyl)-6-methylphenoxy]propanamide?
The canonical SMILES for N-carbamoyl-2-[2-(hydroxymethyl)-6-methylphenoxy]propanamide is Cc1cccc(CO)c1OC(C)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-[2-(hydroxymethyl)-6-methylphenoxy]propanamide?
The InChIKey is NVGNCILWVKWQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-7-4-3-5-9(6-15)10(7)18-8(2)11(16)14-12(13)17/h3-5,8,15H,6H2,1-2H3,(H3,13,14,16,17).
What are the key properties of N-carbamoyl-2-[2-(hydroxymethyl)-6-methylphenoxy]propanamide?
N-carbamoyl-2-[2-(hydroxymethyl)-6-methylphenoxy]propanamide has a molecular weight of 252.27 g/mol, XLogP of 0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[2-(hydroxymethyl)-6-methylphenoxy]propanamide is sourced from PubChem (CID 112612470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).