N-[2-[2-(methylcarbamoylamino)phenoxy]ethyl]acetamide

C12H17N3O3 — CID 118591797

IUPACN-[2-[2-(methylcarbamoylamino)phenoxy]ethyl]acetamide
SMILESCNC(=O)Nc1ccccc1OCCNC(C)=O
InChIInChI=1S/C12H17N3O3/c1-9(16)14-7-8-18-11-6-4-3-5-10(11)15-12(17)13-2/h3-6H,7-8H2,1-2H3,(H,14,16)(H2,13,15,17)
InChIKeyAUPDUJVQCARMDL-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.95
Rot. Bonds5

About N-[2-[2-(methylcarbamoylamino)phenoxy]ethyl]acetamide

N-[2-[2-(methylcarbamoylamino)phenoxy]ethyl]acetamide (PubChem CID 118591797) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-[2-[2-(methylcarbamoylamino)phenoxy]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(methylcarbamoylamino)phenoxy]ethyl]acetamide
PubChem CID118591797
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-[2-[2-(methylcarbamoylamino)phenoxy]ethyl]acetamide
SMILESCNC(=O)Nc1ccccc1OCCNC(C)=O
InChIInChI=1S/C12H17N3O3/c1-9(16)14-7-8-18-11-6-4-3-5-10(11)15-12(17)13-2/h3-6H,7-8H2,1-2H3,(H,14,16)(H2,13,15,17)
InChIKeyAUPDUJVQCARMDL-UHFFFAOYSA-N
XLogP0.95
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[3-(dimethylamino)propoxy]phenyl]-3-methylurea
CID 118591807
1-methyl-3-[2-(2-phenylethoxy)phenyl]urea
CID 47033729
N-[2-[4-(2-acetamidophenoxy)butoxy]phenyl]acetamide
CID 3708150
1-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)urea
CID 17171255
N-[2-[10-(2-acetamidophenoxy)decoxy]phenyl]acetamide
CID 4569719
1-(2-ethoxyphenyl)-3-(2-methoxyethyl)urea
CID 47032357
1,3-bis(2-butoxyphenyl)urea
CID 17170447
1-(2-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969846
N-[2-[2-(2-hydroxyethoxy)ethoxy]phenyl]acetamide
CID 61076230
N-[2-[2-(2-methylphenoxy)ethoxy]phenyl]acetamide
CID 9017902
1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-ethoxyphenyl)urea
CID 112973367
1-(2-ethoxyphenyl)-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970105

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(methylcarbamoylamino)phenoxy]ethyl]acetamide?
The IUPAC name of N-[2-[2-(methylcarbamoylamino)phenoxy]ethyl]acetamide (CID 118591797) is N-[2-[2-(methylcarbamoylamino)phenoxy]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-(methylcarbamoylamino)phenoxy]ethyl]acetamide?
The canonical SMILES for N-[2-[2-(methylcarbamoylamino)phenoxy]ethyl]acetamide is CNC(=O)Nc1ccccc1OCCNC(C)=O.
What is the InChIKey of N-[2-[2-(methylcarbamoylamino)phenoxy]ethyl]acetamide?
The InChIKey is AUPDUJVQCARMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-9(16)14-7-8-18-11-6-4-3-5-10(11)15-12(17)13-2/h3-6H,7-8H2,1-2H3,(H,14,16)(H2,13,15,17).
What are the key properties of N-[2-[2-(methylcarbamoylamino)phenoxy]ethyl]acetamide?
N-[2-[2-(methylcarbamoylamino)phenoxy]ethyl]acetamide has a molecular weight of 251.29 g/mol, XLogP of 0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(methylcarbamoylamino)phenoxy]ethyl]acetamide is sourced from PubChem (CID 118591797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).