ethyl N-(2-methyloxan-4-yl)carbamate

C9H17NO3 — CID 103889471

IUPACethyl N-(2-methyloxan-4-yl)carbamate
SMILESCCOC(=O)NC1CCOC(C)C1
InChIInChI=1S/C9H17NO3/c1-3-12-9(11)10-8-4-5-13-7(2)6-8/h7-8H,3-6H2,1-2H3,(H,10,11)
InChIKeyLJBWMMWFOKRCAQ-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.30
Rot. Bonds2

About ethyl N-(2-methyloxan-4-yl)carbamate

ethyl N-(2-methyloxan-4-yl)carbamate (PubChem CID 103889471) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is ethyl N-(2-methyloxan-4-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(2-methyloxan-4-yl)carbamate
PubChem CID103889471
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nameethyl N-(2-methyloxan-4-yl)carbamate
SMILESCCOC(=O)NC1CCOC(C)C1
InChIInChI=1S/C9H17NO3/c1-3-12-9(11)10-8-4-5-13-7(2)6-8/h7-8H,3-6H2,1-2H3,(H,10,11)
InChIKeyLJBWMMWFOKRCAQ-UHFFFAOYSA-N
XLogP1.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoroethyl N-(2-methyloxan-4-yl)carbamate
CID 103887484
tert-butyl N-(2-methyloxan-4-yl)carbamate
CID 103887643
1-(2-methyloxan-4-yl)-3-propylurea
CID 103887319
4-amino-5-[(2-methyloxan-4-yl)amino]-5-oxopentanoic acid
CID 114107781
ethyl 2-methyloxane-4-carboxylate
CID 131105017
3-amino-N-(2-methyloxan-4-yl)butanamide;hydrochloride
CID 120873943
ethyl N-[4-(methylamino)cyclohexyl]carbamate
CID 43653652
ethyl 2-[(2-methyloxan-4-yl)amino]-2-phenylacetate
CID 103952268
ethyl N-(1,3-dioxan-5-yl)carbamate
CID 67075992
5-(aminomethyl)-N-(2-methyloxan-4-yl)oxolane-2-carboxamide
CID 114107782
tert-butyl 4-[(2-methyloxan-4-yl)amino]-4-oxobutanoate
CID 106812356
N-ethoxy-2-methyloxane-4-carboxamide
CID 131133773

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-methyloxan-4-yl)carbamate?
The IUPAC name of ethyl N-(2-methyloxan-4-yl)carbamate (CID 103889471) is ethyl N-(2-methyloxan-4-yl)carbamate.
What is the SMILES notation for ethyl N-(2-methyloxan-4-yl)carbamate?
The canonical SMILES for ethyl N-(2-methyloxan-4-yl)carbamate is CCOC(=O)NC1CCOC(C)C1.
What is the InChIKey of ethyl N-(2-methyloxan-4-yl)carbamate?
The InChIKey is LJBWMMWFOKRCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-3-12-9(11)10-8-4-5-13-7(2)6-8/h7-8H,3-6H2,1-2H3,(H,10,11).
What are the key properties of ethyl N-(2-methyloxan-4-yl)carbamate?
ethyl N-(2-methyloxan-4-yl)carbamate has a molecular weight of 187.24 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-methyloxan-4-yl)carbamate is sourced from PubChem (CID 103889471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).