N-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)phenoxy]acetamide

C14H19NO3 — CID 60772880

IUPACN-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)phenoxy]acetamide
SMILESCCN(C(=O)COc1ccccc1CO)C1CC1
InChIInChI=1S/C14H19NO3/c1-2-15(12-7-8-12)14(17)10-18-13-6-4-3-5-11(13)9-16/h3-6,12,16H,2,7-10H2,1H3
InChIKeyVWCQLIUWDPLDKC-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.57
Rot. Bonds6

About N-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)phenoxy]acetamide

N-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)phenoxy]acetamide (PubChem CID 60772880) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)phenoxy]acetamide
PubChem CID60772880
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)phenoxy]acetamide
SMILESCCN(C(=O)COc1ccccc1CO)C1CC1
InChIInChI=1S/C14H19NO3/c1-2-15(12-7-8-12)14(17)10-18-13-6-4-3-5-11(13)9-16/h3-6,12,16H,2,7-10H2,1H3
InChIKeyVWCQLIUWDPLDKC-UHFFFAOYSA-N
XLogP1.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-ethyl-2-[2-(ethylaminomethyl)phenoxy]acetamide
CID 61487903
2-(2-cyanophenoxy)-N-cyclopropyl-N-ethylacetamide
CID 43243362
[2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 2-(2-aminophenoxy)acetate
CID 61488778
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-naphthalen-1-yloxyacetamide
CID 7851016
2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-cyclopropyl-N-ethylacetamide
CID 107700484
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-cyclopropyl-N-ethylacetamide
CID 61487978
2-(2-amino-4-methylphenoxy)-N-cyclopropyl-N-ethylacetamide
CID 54957478
2-(2-amino-5-methylphenoxy)-N-cyclopropyl-N-ethylacetamide
CID 54957324
N-cyclopropyl-N-ethyl-2-(2-fluoro-5-methylphenoxy)acetamide
CID 64854538
ethyl 2-[cyclopropyl-[2-(2-methylphenoxy)acetyl]amino]acetate
CID 61410246
N-cyclopropyl-N-ethyl-2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]acetamide
CID 63091355
N-cyclopropyl-N-ethyl-2-(1,2,3,4-tetrahydroquinolin-5-yloxy)acetamide
CID 103045027

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)phenoxy]acetamide?
The IUPAC name of N-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)phenoxy]acetamide (CID 60772880) is N-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)phenoxy]acetamide.
What is the SMILES notation for N-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)phenoxy]acetamide?
The canonical SMILES for N-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)phenoxy]acetamide is CCN(C(=O)COc1ccccc1CO)C1CC1.
What is the InChIKey of N-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)phenoxy]acetamide?
The InChIKey is VWCQLIUWDPLDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-2-15(12-7-8-12)14(17)10-18-13-6-4-3-5-11(13)9-16/h3-6,12,16H,2,7-10H2,1H3.
What are the key properties of N-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)phenoxy]acetamide?
N-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)phenoxy]acetamide has a molecular weight of 249.31 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)phenoxy]acetamide is sourced from PubChem (CID 60772880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).