ethane;1-ethyl-3-propan-2-ylurea

C8H20N2O — CID 156793066

IUPACethane;1-ethyl-3-propan-2-ylurea
SMILESCC.CCNC(=O)NC(C)C
InChIInChI=1S/C6H14N2O.C2H6/c1-4-7-6(9)8-5(2)3;1-2/h5H,4H2,1-3H3,(H2,7,8,9);1-2H3
InChIKeyZBJPPNDEPRZWKM-UHFFFAOYSA-N
MW160.26 g/mol
LogP1.74
Rot. Bonds2

About ethane;1-ethyl-3-propan-2-ylurea

ethane;1-ethyl-3-propan-2-ylurea (PubChem CID 156793066) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is ethane;1-ethyl-3-propan-2-ylurea.

Molecular Properties

Compound Nameethane;1-ethyl-3-propan-2-ylurea
PubChem CID156793066
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC Nameethane;1-ethyl-3-propan-2-ylurea
SMILESCC.CCNC(=O)NC(C)C
InChIInChI=1S/C6H14N2O.C2H6/c1-4-7-6(9)8-5(2)3;1-2/h5H,4H2,1-3H3,(H2,7,8,9);1-2H3
InChIKeyZBJPPNDEPRZWKM-UHFFFAOYSA-N
XLogP1.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-3-propan-2-ylurea;N-propan-2-ylmethanesulfonamide
CID 159156938
1,3-diethylurea;ethane
CID 142885504
1-(dihydroxymethyl)-3-ethylurea
CID 141116762
1-ethyl-3-(1-fluoropropan-2-yl)urea
CID 126991916
ethane;1-ethyl-3-heptan-4-ylurea;2-methylpropane
CID 178008205
1-(2-ethylbutyl)-3-propan-2-ylurea
CID 84528098
2-(ethylcarbamoylamino)propanamide
CID 115582785
1-ethyl-3-(propan-2-ylamino)urea
CID 54144387
1-ethyl-3-[1-[2-(ethylcarbamoylamino)propoxy]propan-2-yl]urea
CID 158499294
methyl 2-(ethylcarbamoylamino)propanoate
CID 60980356
1-ethyl-3-[(2R)-6-methylheptan-2-yl]urea
CID 94702761
1-hexyl-3-propan-2-ylurea
CID 23264656

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-3-propan-2-ylurea?
The IUPAC name of ethane;1-ethyl-3-propan-2-ylurea (CID 156793066) is ethane;1-ethyl-3-propan-2-ylurea.
What is the SMILES notation for ethane;1-ethyl-3-propan-2-ylurea?
The canonical SMILES for ethane;1-ethyl-3-propan-2-ylurea is CC.CCNC(=O)NC(C)C.
What is the InChIKey of ethane;1-ethyl-3-propan-2-ylurea?
The InChIKey is ZBJPPNDEPRZWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O.C2H6/c1-4-7-6(9)8-5(2)3;1-2/h5H,4H2,1-3H3,(H2,7,8,9);1-2H3.
What are the key properties of ethane;1-ethyl-3-propan-2-ylurea?
ethane;1-ethyl-3-propan-2-ylurea has a molecular weight of 160.26 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-3-propan-2-ylurea is sourced from PubChem (CID 156793066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).