1-ethyl-3-(1-methoxy-2-methylpropan-2-yl)urea

C8H18N2O2 — CID 115690657

IUPAC1-ethyl-3-(1-methoxy-2-methylpropan-2-yl)urea
SMILESCCNC(=O)NC(C)(C)COC
InChIInChI=1S/C8H18N2O2/c1-5-9-7(11)10-8(2,3)6-12-4/h5-6H2,1-4H3,(H2,9,10,11)
InChIKeyYRCUMLHGAYWANS-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.73
Rot. Bonds4

About 1-ethyl-3-(1-methoxy-2-methylpropan-2-yl)urea

1-ethyl-3-(1-methoxy-2-methylpropan-2-yl)urea (PubChem CID 115690657) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-ethyl-3-(1-methoxy-2-methylpropan-2-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-(1-methoxy-2-methylpropan-2-yl)urea
PubChem CID115690657
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name1-ethyl-3-(1-methoxy-2-methylpropan-2-yl)urea
SMILESCCNC(=O)NC(C)(C)COC
InChIInChI=1S/C8H18N2O2/c1-5-9-7(11)10-8(2,3)6-12-4/h5-6H2,1-4H3,(H2,9,10,11)
InChIKeyYRCUMLHGAYWANS-UHFFFAOYSA-N
XLogP0.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-methoxy-2-methylpropan-2-yl)-3-methylurea
CID 115690659
1-ethyl-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 115674453
3-methoxy-4-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]butanoic acid
CID 103159951
2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]hexanoic acid
CID 113470663
(2S)-2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]pentanedioic acid
CID 104862179
(2S)-5-methoxy-2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]-5-oxopentanoic acid
CID 107828997
1-(1-methoxy-2-methylpropan-2-yl)-3-phenylurea
CID 71878380
(2S)-2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 104862178
N-(1-methoxy-2-methylpropan-2-yl)cyclopropanecarboxamide
CID 115606636
2,2-diethyl-4-[(1-methoxy-2-methylpropan-2-yl)amino]-4-oxobutanoic acid
CID 113470258
2-(azetidin-3-yl)-N-(1-methoxy-2-methylpropan-2-yl)acetamide
CID 115738814
(2S)-2-amino-N-(1-methoxy-2-methylpropan-2-yl)-3,3-dimethylbutanamide
CID 104862136

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1-methoxy-2-methylpropan-2-yl)urea?
The IUPAC name of 1-ethyl-3-(1-methoxy-2-methylpropan-2-yl)urea (CID 115690657) is 1-ethyl-3-(1-methoxy-2-methylpropan-2-yl)urea.
What is the SMILES notation for 1-ethyl-3-(1-methoxy-2-methylpropan-2-yl)urea?
The canonical SMILES for 1-ethyl-3-(1-methoxy-2-methylpropan-2-yl)urea is CCNC(=O)NC(C)(C)COC.
What is the InChIKey of 1-ethyl-3-(1-methoxy-2-methylpropan-2-yl)urea?
The InChIKey is YRCUMLHGAYWANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-5-9-7(11)10-8(2,3)6-12-4/h5-6H2,1-4H3,(H2,9,10,11).
What are the key properties of 1-ethyl-3-(1-methoxy-2-methylpropan-2-yl)urea?
1-ethyl-3-(1-methoxy-2-methylpropan-2-yl)urea has a molecular weight of 174.24 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1-methoxy-2-methylpropan-2-yl)urea is sourced from PubChem (CID 115690657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).