ethyl N-[[4-(hydroxymethyl)oxan-4-yl]methyl]carbamate

C10H19NO4 — CID 110292759

IUPACethyl N-[[4-(hydroxymethyl)oxan-4-yl]methyl]carbamate
SMILESCCOC(=O)NCC1(CO)CCOCC1
InChIInChI=1S/C10H19NO4/c1-2-15-9(13)11-7-10(8-12)3-5-14-6-4-10/h12H,2-8H2,1H3,(H,11,13)
InChIKeyJQLQFEKWWUJWDB-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.52
Rot. Bonds4

About ethyl N-[[4-(hydroxymethyl)oxan-4-yl]methyl]carbamate

ethyl N-[[4-(hydroxymethyl)oxan-4-yl]methyl]carbamate (PubChem CID 110292759) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is ethyl N-[[4-(hydroxymethyl)oxan-4-yl]methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[4-(hydroxymethyl)oxan-4-yl]methyl]carbamate
PubChem CID110292759
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Nameethyl N-[[4-(hydroxymethyl)oxan-4-yl]methyl]carbamate
SMILESCCOC(=O)NCC1(CO)CCOCC1
InChIInChI=1S/C10H19NO4/c1-2-15-9(13)11-7-10(8-12)3-5-14-6-4-10/h12H,2-8H2,1H3,(H,11,13)
InChIKeyJQLQFEKWWUJWDB-UHFFFAOYSA-N
XLogP0.52
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[(1-propylcyclopropyl)methyl]carbamate
CID 103762312
tert-butyl N-[(4-ethyloxan-4-yl)methyl]carbamate
CID 130674392
methyl N-[[1-(hydroxymethyl)cyclohexyl]methyl]carbamate
CID 110292599
1-[(ethoxycarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 115435935
ethyl N-[(2-silyloxan-2-yl)methyl]carbamate
CID 175525267
N-[[4-[(butanoylamino)methyl]oxan-4-yl]methyl]butanamide
CID 122140485
ethyl 2,2-bis(4-methyloxan-4-yl)acetate
CID 175344737
[1-(hydroxymethyl)cyclopentyl]methylcarbamic acid
CID 66597374
(1S)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-methyl-3-phenylcycloprop-2-ene-1-carboxamide
CID 125446287
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-phenoxyacetamide
CID 110292724
ethyl 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]propanoate
CID 115454884
2-ethoxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 112699630

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[4-(hydroxymethyl)oxan-4-yl]methyl]carbamate?
The IUPAC name of ethyl N-[[4-(hydroxymethyl)oxan-4-yl]methyl]carbamate (CID 110292759) is ethyl N-[[4-(hydroxymethyl)oxan-4-yl]methyl]carbamate.
What is the SMILES notation for ethyl N-[[4-(hydroxymethyl)oxan-4-yl]methyl]carbamate?
The canonical SMILES for ethyl N-[[4-(hydroxymethyl)oxan-4-yl]methyl]carbamate is CCOC(=O)NCC1(CO)CCOCC1.
What is the InChIKey of ethyl N-[[4-(hydroxymethyl)oxan-4-yl]methyl]carbamate?
The InChIKey is JQLQFEKWWUJWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-2-15-9(13)11-7-10(8-12)3-5-14-6-4-10/h12H,2-8H2,1H3,(H,11,13).
What are the key properties of ethyl N-[[4-(hydroxymethyl)oxan-4-yl]methyl]carbamate?
ethyl N-[[4-(hydroxymethyl)oxan-4-yl]methyl]carbamate has a molecular weight of 217.26 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[4-(hydroxymethyl)oxan-4-yl]methyl]carbamate is sourced from PubChem (CID 110292759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).