N-carbamoyl-2-[2-ethoxy-4-(hydroxymethyl)phenoxy]acetamide

C12H16N2O5 — CID 28561787

IUPACN-carbamoyl-2-[2-ethoxy-4-(hydroxymethyl)phenoxy]acetamide
SMILESCCOc1cc(CO)ccc1OCC(=O)NC(N)=O
InChIInChI=1S/C12H16N2O5/c1-2-18-10-5-8(6-15)3-4-9(10)19-7-11(16)14-12(13)17/h3-5,15H,2,6-7H2,1H3,(H3,13,14,16,17)
InChIKeyBWDUGYHRQHMWQJ-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.15
Rot. Bonds6

About N-carbamoyl-2-[2-ethoxy-4-(hydroxymethyl)phenoxy]acetamide

N-carbamoyl-2-[2-ethoxy-4-(hydroxymethyl)phenoxy]acetamide (PubChem CID 28561787) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is N-carbamoyl-2-[2-ethoxy-4-(hydroxymethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[2-ethoxy-4-(hydroxymethyl)phenoxy]acetamide
PubChem CID28561787
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC NameN-carbamoyl-2-[2-ethoxy-4-(hydroxymethyl)phenoxy]acetamide
SMILESCCOc1cc(CO)ccc1OCC(=O)NC(N)=O
InChIInChI=1S/C12H16N2O5/c1-2-18-10-5-8(6-15)3-4-9(10)19-7-11(16)14-12(13)17/h3-5,15H,2,6-7H2,1H3,(H3,13,14,16,17)
InChIKeyBWDUGYHRQHMWQJ-UHFFFAOYSA-N
XLogP0.15
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-carbamoyl-2-[2-ethoxy-4-(ethylaminomethyl)phenoxy]acetamide
CID 43278167
2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-carbamoylacetamide
CID 55147530
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-methylacetamide
CID 54931035
2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-ethyl-N-methylacetamide
CID 43309787
N-carbamoyl-2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide
CID 43278640
N-carbamoyl-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 28561616
3-(3,4-diethoxyphenyl)propanamide
CID 28631811
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-butylacetamide
CID 61485578
2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2986175
N-carbamoyl-2-[4-(ethylaminomethyl)-2-fluorophenoxy]acetamide
CID 107687126
2-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]-N-carbamoylacetamide
CID 43626905
2-[2-bromo-4-(propylaminomethyl)phenoxy]-N-carbamoylacetamide
CID 63044671

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[2-ethoxy-4-(hydroxymethyl)phenoxy]acetamide?
The IUPAC name of N-carbamoyl-2-[2-ethoxy-4-(hydroxymethyl)phenoxy]acetamide (CID 28561787) is N-carbamoyl-2-[2-ethoxy-4-(hydroxymethyl)phenoxy]acetamide.
What is the SMILES notation for N-carbamoyl-2-[2-ethoxy-4-(hydroxymethyl)phenoxy]acetamide?
The canonical SMILES for N-carbamoyl-2-[2-ethoxy-4-(hydroxymethyl)phenoxy]acetamide is CCOc1cc(CO)ccc1OCC(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-[2-ethoxy-4-(hydroxymethyl)phenoxy]acetamide?
The InChIKey is BWDUGYHRQHMWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-2-18-10-5-8(6-15)3-4-9(10)19-7-11(16)14-12(13)17/h3-5,15H,2,6-7H2,1H3,(H3,13,14,16,17).
What are the key properties of N-carbamoyl-2-[2-ethoxy-4-(hydroxymethyl)phenoxy]acetamide?
N-carbamoyl-2-[2-ethoxy-4-(hydroxymethyl)phenoxy]acetamide has a molecular weight of 268.27 g/mol, XLogP of 0.15, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[2-ethoxy-4-(hydroxymethyl)phenoxy]acetamide is sourced from PubChem (CID 28561787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).