ethane;1-ethyl-3-heptan-4-ylurea;2-methylpropane

C16H38N2O — CID 178008205

IUPACethane;1-ethyl-3-heptan-4-ylurea;2-methylpropane
SMILESCC.CC(C)C.CCCC(CCC)NC(=O)NCC
InChIInChI=1S/C10H22N2O.C4H10.C2H6/c1-4-7-9(8-5-2)12-10(13)11-6-3;1-4(2)3;1-2/h9H,4-8H2,1-3H3,(H2,11,12,13);4H,1-3H3;1-2H3
InChIKeyFCLHAOYWPHTSBB-UHFFFAOYSA-N
MW274.49 g/mol
LogP4.96
Rot. Bonds6

About ethane;1-ethyl-3-heptan-4-ylurea;2-methylpropane

ethane;1-ethyl-3-heptan-4-ylurea;2-methylpropane (PubChem CID 178008205) has the molecular formula C16H38N2O and a molecular weight of 274.49 g/mol. Its IUPAC name is ethane;1-ethyl-3-heptan-4-ylurea;2-methylpropane.

Molecular Properties

Compound Nameethane;1-ethyl-3-heptan-4-ylurea;2-methylpropane
PubChem CID178008205
Molecular FormulaC16H38N2O
Molecular Weight274.49 g/mol
Exact Mass274.30
IUPAC Nameethane;1-ethyl-3-heptan-4-ylurea;2-methylpropane
SMILESCC.CC(C)C.CCCC(CCC)NC(=O)NCC
InChIInChI=1S/C10H22N2O.C4H10.C2H6/c1-4-7-9(8-5-2)12-10(13)11-6-3;1-4(2)3;1-2/h9H,4-8H2,1-3H3,(H2,11,12,13);4H,1-3H3;1-2H3
InChIKeyFCLHAOYWPHTSBB-UHFFFAOYSA-N
XLogP4.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.49
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-ethyl-3-propan-2-ylurea
CID 156793066
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CID 94866604
1-ethyl-3-octan-2-ylurea
CID 56827686
1,3-diethylurea;ethane
CID 142885504
1-butyl-3-hexan-3-ylurea
CID 115596662
1-(dihydroxymethyl)-3-ethylurea
CID 141116762
3-(octan-4-ylcarbamoylamino)propanoic acid
CID 106020663
1-ethyl-3-(1-fluoropropan-2-yl)urea
CID 126991916
1-ethyl-3-[(2R)-6-methylheptan-2-yl]urea
CID 94702761
1-(1-methoxypentan-2-yl)-3-propylurea
CID 116656269
2-(hexan-3-ylcarbamoylamino)-3-hydroxypropanoic acid
CID 62117859

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-3-heptan-4-ylurea;2-methylpropane?
The IUPAC name of ethane;1-ethyl-3-heptan-4-ylurea;2-methylpropane (CID 178008205) is ethane;1-ethyl-3-heptan-4-ylurea;2-methylpropane.
What is the SMILES notation for ethane;1-ethyl-3-heptan-4-ylurea;2-methylpropane?
The canonical SMILES for ethane;1-ethyl-3-heptan-4-ylurea;2-methylpropane is CC.CC(C)C.CCCC(CCC)NC(=O)NCC.
What is the InChIKey of ethane;1-ethyl-3-heptan-4-ylurea;2-methylpropane?
The InChIKey is FCLHAOYWPHTSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O.C4H10.C2H6/c1-4-7-9(8-5-2)12-10(13)11-6-3;1-4(2)3;1-2/h9H,4-8H2,1-3H3,(H2,11,12,13);4H,1-3H3;1-2H3.
What are the key properties of ethane;1-ethyl-3-heptan-4-ylurea;2-methylpropane?
ethane;1-ethyl-3-heptan-4-ylurea;2-methylpropane has a molecular weight of 274.49 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-3-heptan-4-ylurea;2-methylpropane is sourced from PubChem (CID 178008205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).