N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-phenylmethoxyacetamide

C14H19NO3 — CID 80711828

IUPACN-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-phenylmethoxyacetamide
SMILESO=C(COCc1ccccc1)NCC1(CO)CC1
InChIInChI=1S/C14H19NO3/c16-11-14(6-7-14)10-15-13(17)9-18-8-12-4-2-1-3-5-12/h1-5,16H,6-11H2,(H,15,17)
InChIKeyROVSCGRXDFEYOZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.09
Rot. Bonds7

About N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-phenylmethoxyacetamide

N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-phenylmethoxyacetamide (PubChem CID 80711828) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-phenylmethoxyacetamide
PubChem CID80711828
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-phenylmethoxyacetamide
SMILESO=C(COCc1ccccc1)NCC1(CO)CC1
InChIInChI=1S/C14H19NO3/c16-11-14(6-7-14)10-15-13(17)9-18-8-12-4-2-1-3-5-12/h1-5,16H,6-11H2,(H,15,17)
InChIKeyROVSCGRXDFEYOZ-UHFFFAOYSA-N
XLogP1.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-phenylacetamide
CID 110416748
N-phenyl-2-phenylmethoxyacetamide
CID 15220156
2-phenylmethoxy-N-[(1-thiophen-3-ylcyclopropyl)methyl]acetamide
CID 146078652
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-phenylbutanamide
CID 115362564
N-[[3-(2-hydroxyethoxy)thiolan-3-yl]methyl]-2-phenylmethoxyacetamide
CID 134161639
[1-[(2-phenylmethoxyethylamino)methyl]cyclopropyl]methanol
CID 130536844
[1-(phenylmethoxymethyl)cyclopentyl]methanol
CID 83671115
N-(2,3-dihydroxypropyl)-2-phenylmethoxyacetamide
CID 66177316
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-(2-hydroxyphenoxy)acetamide
CID 115362129
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-phenoxyacetamide
CID 110292724
N-[2-(methylamino)ethyl]-2-phenylmethoxyacetamide
CID 119501823
1-[4-(ethoxymethyl)phenyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111573311

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-phenylmethoxyacetamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-phenylmethoxyacetamide (CID 80711828) is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-phenylmethoxyacetamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-phenylmethoxyacetamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-phenylmethoxyacetamide is O=C(COCc1ccccc1)NCC1(CO)CC1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-phenylmethoxyacetamide?
The InChIKey is ROVSCGRXDFEYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c16-11-14(6-7-14)10-15-13(17)9-18-8-12-4-2-1-3-5-12/h1-5,16H,6-11H2,(H,15,17).
What are the key properties of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-phenylmethoxyacetamide?
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-phenylmethoxyacetamide has a molecular weight of 249.31 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-phenylmethoxyacetamide is sourced from PubChem (CID 80711828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).