N-(2-cyanoethyl)-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]acetamide

C14H18N2O4 — CID 43503845

IUPACN-(2-cyanoethyl)-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]acetamide
SMILESCOc1cc(C(C)O)ccc1OCC(=O)NCCC#N
InChIInChI=1S/C14H18N2O4/c1-10(17)11-4-5-12(13(8-11)19-2)20-9-14(18)16-7-3-6-15/h4-5,8,10,17H,3,7,9H2,1-2H3,(H,16,18)
InChIKeyGDAQYEGIIVLWFR-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.16
Rot. Bonds7

About N-(2-cyanoethyl)-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]acetamide

N-(2-cyanoethyl)-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]acetamide (PubChem CID 43503845) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]acetamide
PubChem CID43503845
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC NameN-(2-cyanoethyl)-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]acetamide
SMILESCOc1cc(C(C)O)ccc1OCC(=O)NCCC#N
InChIInChI=1S/C14H18N2O4/c1-10(17)11-4-5-12(13(8-11)19-2)20-9-14(18)16-7-3-6-15/h4-5,8,10,17H,3,7,9H2,1-2H3,(H,16,18)
InChIKeyGDAQYEGIIVLWFR-UHFFFAOYSA-N
XLogP1.16
TPSA91.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
CID 78931398
2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
CID 60728745
4-[4-(1-hydroxyethyl)-2-methoxyphenoxy]butanenitrile
CID 43503833
4-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]butanenitrile
CID 55189697
N-(2-cyanoethyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 78909836
2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-prop-2-enylacetamide
CID 63364462
2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 78933804
2-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63364548
2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 78933810
N-cyclopropyl-2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]acetamide
CID 78931618
N-cyclopropyl-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]acetamide
CID 43416729
N-cyclopentyl-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]acetamide
CID 43416744

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]acetamide (CID 43503845) is N-(2-cyanoethyl)-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]acetamide is COc1cc(C(C)O)ccc1OCC(=O)NCCC#N.
What is the InChIKey of N-(2-cyanoethyl)-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]acetamide?
The InChIKey is GDAQYEGIIVLWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-10(17)11-4-5-12(13(8-11)19-2)20-9-14(18)16-7-3-6-15/h4-5,8,10,17H,3,7,9H2,1-2H3,(H,16,18).
What are the key properties of N-(2-cyanoethyl)-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]acetamide?
N-(2-cyanoethyl)-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]acetamide has a molecular weight of 278.31 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]acetamide is sourced from PubChem (CID 43503845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).