ethane;methyl N-(oxan-4-ylcarbamoyl)carbamate

C12H26N2O4 — CID 144904584

IUPACethane;methyl N-(oxan-4-ylcarbamoyl)carbamate
SMILESCC.CC.COC(=O)NC(=O)NC1CCOCC1
InChIInChI=1S/C8H14N2O4.2C2H6/c1-13-8(12)10-7(11)9-6-2-4-14-5-3-6;2*1-2/h6H,2-5H2,1H3,(H2,9,10,11,12);2*1-2H3
InChIKeyCBHNNYNBUPDRFP-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.28
Rot. Bonds1

About ethane;methyl N-(oxan-4-ylcarbamoyl)carbamate

ethane;methyl N-(oxan-4-ylcarbamoyl)carbamate (PubChem CID 144904584) has the molecular formula C12H26N2O4 and a molecular weight of 262.35 g/mol. Its IUPAC name is ethane;methyl N-(oxan-4-ylcarbamoyl)carbamate.

Molecular Properties

Compound Nameethane;methyl N-(oxan-4-ylcarbamoyl)carbamate
PubChem CID144904584
Molecular FormulaC12H26N2O4
Molecular Weight262.35 g/mol
Exact Mass262.19
IUPAC Nameethane;methyl N-(oxan-4-ylcarbamoyl)carbamate
SMILESCC.CC.COC(=O)NC(=O)NC1CCOCC1
InChIInChI=1S/C8H14N2O4.2C2H6/c1-13-8(12)10-7(11)9-6-2-4-14-5-3-6;2*1-2/h6H,2-5H2,1H3,(H2,9,10,11,12);2*1-2H3
InChIKeyCBHNNYNBUPDRFP-UHFFFAOYSA-N
XLogP2.28
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclobutyl-3-(oxan-4-yl)urea
CID 115617670
1-(1-acetylpiperidin-4-yl)-3-(oxan-4-yl)urea
CID 25073596
methyl N-[4-[[4-(methoxycarbonylamino)cyclohexyl]carbamoylamino]cyclohexyl]carbamate
CID 144980876
tert-butyl (3R)-3-(oxan-4-ylcarbamoylamino)pyrrolidine-1-carboxylate
CID 97212425
1-(1-acetylpiperidin-4-yl)-3-(oxan-4-ylmethyl)urea
CID 25072677
methyl N-[4-[[[4-(methoxycarbonylamino)cyclohexyl]carbamoylamino]carbamoylamino]cyclohexyl]carbamate
CID 144980905
methyl N-(cyclopropylcarbamoylamino)carbamate
CID 131203587
(E)-N-(oxan-4-yl)but-2-enamide
CID 118136876
propyl N-(oxan-4-yl)carbamate
CID 89062839
(2R)-3-methyl-2-(oxan-4-ylcarbamoylamino)butanoic acid
CID 79010158
methyl N-(1,4-dioxepan-6-yl)carbamate
CID 130643891
1-cyclopentyl-3-(oxolan-3-yl)urea
CID 115758222

Frequently Asked Questions

What is the IUPAC name of ethane;methyl N-(oxan-4-ylcarbamoyl)carbamate?
The IUPAC name of ethane;methyl N-(oxan-4-ylcarbamoyl)carbamate (CID 144904584) is ethane;methyl N-(oxan-4-ylcarbamoyl)carbamate.
What is the SMILES notation for ethane;methyl N-(oxan-4-ylcarbamoyl)carbamate?
The canonical SMILES for ethane;methyl N-(oxan-4-ylcarbamoyl)carbamate is CC.CC.COC(=O)NC(=O)NC1CCOCC1.
What is the InChIKey of ethane;methyl N-(oxan-4-ylcarbamoyl)carbamate?
The InChIKey is CBHNNYNBUPDRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4.2C2H6/c1-13-8(12)10-7(11)9-6-2-4-14-5-3-6;2*1-2/h6H,2-5H2,1H3,(H2,9,10,11,12);2*1-2H3.
What are the key properties of ethane;methyl N-(oxan-4-ylcarbamoyl)carbamate?
ethane;methyl N-(oxan-4-ylcarbamoyl)carbamate has a molecular weight of 262.35 g/mol, XLogP of 2.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl N-(oxan-4-ylcarbamoyl)carbamate is sourced from PubChem (CID 144904584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).