N-(acetamidomethyl)-3-(4-hydroxyphenoxy)propanamide

C12H16N2O4 — CID 59938054

IUPACN-(acetamidomethyl)-3-(4-hydroxyphenoxy)propanamide
SMILESCC(=O)NCNC(=O)CCOc1ccc(O)cc1
InChIInChI=1S/C12H16N2O4/c1-9(15)13-8-14-12(17)6-7-18-11-4-2-10(16)3-5-11/h2-5,16H,6-8H2,1H3,(H,13,15)(H,14,17)
InChIKeyZQQMSEPFEYOCTD-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.37
Rot. Bonds6

About N-(acetamidomethyl)-3-(4-hydroxyphenoxy)propanamide

N-(acetamidomethyl)-3-(4-hydroxyphenoxy)propanamide (PubChem CID 59938054) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-(acetamidomethyl)-3-(4-hydroxyphenoxy)propanamide.

Molecular Properties

Compound NameN-(acetamidomethyl)-3-(4-hydroxyphenoxy)propanamide
PubChem CID59938054
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC NameN-(acetamidomethyl)-3-(4-hydroxyphenoxy)propanamide
SMILESCC(=O)NCNC(=O)CCOc1ccc(O)cc1
InChIInChI=1S/C12H16N2O4/c1-9(15)13-8-14-12(17)6-7-18-11-4-2-10(16)3-5-11/h2-5,16H,6-8H2,1H3,(H,13,15)(H,14,17)
InChIKeyZQQMSEPFEYOCTD-UHFFFAOYSA-N
XLogP0.37
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2-acetamidoethyl)-3-phenoxypropanamide
CID 46684252
3-(4-hydroxyphenoxy)-N-[(3-octadecan-3-yloxypropylcarbamoylamino)methyl]propanamide
CID 21260050
3-(4-tert-butylphenoxy)-N-ethylpropanamide
CID 60630698
4-[3-(ethylamino)-3-oxopropoxy]benzoic acid
CID 62325269
3-[4-(4-hydroxyphenoxy)phenoxy]-N-(octadecylcarbamoyl)propanamide
CID 18183886
3-(4-hydroxyphenoxy)-N-methylpropanamide;octadecanamide
CID 18183865
N-(2-amino-2-oxoethyl)-3-(4-methylphenoxy)propanamide
CID 9295558
1-[3-[4-(4-hydroxyphenoxy)phenoxy]propanoylamino]-3-octadecylurea
CID 18183906
N-[[carbamoyl(octadecyl)amino]methyl]-3-[4-(4-hydroxyphenoxy)phenoxy]propanamide
CID 70019822
(4-hydroxyphenyl) (4-propoxyphenyl) carbonate
CID 57144136
2-[[2-[3-(4-methylphenoxy)propanoylamino]acetyl]amino]acetic acid
CID 43387562
3-(4-fluorophenoxy)-N-(2-methoxyethyl)propanamide
CID 110678607

Frequently Asked Questions

What is the IUPAC name of N-(acetamidomethyl)-3-(4-hydroxyphenoxy)propanamide?
The IUPAC name of N-(acetamidomethyl)-3-(4-hydroxyphenoxy)propanamide (CID 59938054) is N-(acetamidomethyl)-3-(4-hydroxyphenoxy)propanamide.
What is the SMILES notation for N-(acetamidomethyl)-3-(4-hydroxyphenoxy)propanamide?
The canonical SMILES for N-(acetamidomethyl)-3-(4-hydroxyphenoxy)propanamide is CC(=O)NCNC(=O)CCOc1ccc(O)cc1.
What is the InChIKey of N-(acetamidomethyl)-3-(4-hydroxyphenoxy)propanamide?
The InChIKey is ZQQMSEPFEYOCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-9(15)13-8-14-12(17)6-7-18-11-4-2-10(16)3-5-11/h2-5,16H,6-8H2,1H3,(H,13,15)(H,14,17).
What are the key properties of N-(acetamidomethyl)-3-(4-hydroxyphenoxy)propanamide?
N-(acetamidomethyl)-3-(4-hydroxyphenoxy)propanamide has a molecular weight of 252.27 g/mol, XLogP of 0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(acetamidomethyl)-3-(4-hydroxyphenoxy)propanamide is sourced from PubChem (CID 59938054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).