1,3-diethylurea;ethane

C7H18N2O — CID 142885504

IUPAC1,3-diethylurea;ethane
SMILESCC.CCNC(=O)NCC
InChIInChI=1S/C5H12N2O.C2H6/c1-3-6-5(8)7-4-2;1-2/h3-4H2,1-2H3,(H2,6,7,8);1-2H3
InChIKeyDXPVVIGUOVUQJP-UHFFFAOYSA-N
MW146.23 g/mol
LogP1.35
Rot. Bonds2

About 1,3-diethylurea;ethane

1,3-diethylurea;ethane (PubChem CID 142885504) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is 1,3-diethylurea;ethane.

Molecular Properties

Compound Name1,3-diethylurea;ethane
PubChem CID142885504
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC Name1,3-diethylurea;ethane
SMILESCC.CCNC(=O)NCC
InChIInChI=1S/C5H12N2O.C2H6/c1-3-6-5(8)7-4-2;1-2/h3-4H2,1-2H3,(H2,6,7,8);1-2H3
InChIKeyDXPVVIGUOVUQJP-UHFFFAOYSA-N
XLogP1.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-bis(ethylcarbamoyl)urea
CID 134915369
1-ethyl-3-[5-(ethylcarbamoylamino)pentyl]urea
CID 131888361
ethane;1-ethyl-3-propan-2-ylurea
CID 156793066
2-(ethylcarbamoylamino)-N-methylacetamide
CID 115575880
1-ethyl-3-[2-(propylamino)ethyl]urea
CID 62664925
1-(dihydroxymethyl)-3-ethylurea
CID 141116762
1-(carbamoylamino)-3-ethylurea
CID 55206816
1-(2-cyanoethyl)-3-ethylurea
CID 60971056
1-(2-amino-2-ethylbutyl)-3-ethylurea
CID 115305864
3-(ethylcarbamoylamino)-2-methylpropanoic acid
CID 62674990
N,N'-diethylpropanediamide
CID 4600245
1-ethyl-3-(2-ethyl-2-methylsulfanylbutyl)urea
CID 103708307

Frequently Asked Questions

What is the IUPAC name of 1,3-diethylurea;ethane?
The IUPAC name of 1,3-diethylurea;ethane (CID 142885504) is 1,3-diethylurea;ethane.
What is the SMILES notation for 1,3-diethylurea;ethane?
The canonical SMILES for 1,3-diethylurea;ethane is CC.CCNC(=O)NCC.
What is the InChIKey of 1,3-diethylurea;ethane?
The InChIKey is DXPVVIGUOVUQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O.C2H6/c1-3-6-5(8)7-4-2;1-2/h3-4H2,1-2H3,(H2,6,7,8);1-2H3.
What are the key properties of 1,3-diethylurea;ethane?
1,3-diethylurea;ethane has a molecular weight of 146.23 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethylurea;ethane is sourced from PubChem (CID 142885504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).