1-ethyl-3-methyl-1-(2-methylpropyl)urea

C8H18N2O — CID 59108349

IUPAC1-ethyl-3-methyl-1-(2-methylpropyl)urea
SMILESCCN(CC(C)C)C(=O)NC
InChIInChI=1S/C8H18N2O/c1-5-10(6-7(2)3)8(11)9-4/h7H,5-6H2,1-4H3,(H,9,11)
InChIKeyVMTYFWVPFKGHRX-UHFFFAOYSA-N
MW158.25 g/mol
LogP1.30
Rot. Bonds3

About 1-ethyl-3-methyl-1-(2-methylpropyl)urea

1-ethyl-3-methyl-1-(2-methylpropyl)urea (PubChem CID 59108349) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is 1-ethyl-3-methyl-1-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-ethyl-3-methyl-1-(2-methylpropyl)urea
PubChem CID59108349
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name1-ethyl-3-methyl-1-(2-methylpropyl)urea
SMILESCCN(CC(C)C)C(=O)NC
InChIInChI=1S/C8H18N2O/c1-5-10(6-7(2)3)8(11)9-4/h7H,5-6H2,1-4H3,(H,9,11)
InChIKeyVMTYFWVPFKGHRX-UHFFFAOYSA-N
XLogP1.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-1,1-bis(2-methylpropyl)urea
CID 15539164
1,1-diethyl-3-methylurea;methane;propane
CID 160547230
N-ethyl-N-(2-methylpropyl)propanamide
CID 54345595
(E)-4-[[ethyl(2-methylpropyl)carbamoyl]amino]-4-oxobut-2-enoic acid
CID 43273994
(2R)-2-[[ethyl(2-methylpropyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976291
4-[[ethyl(2-methylpropyl)carbamoyl]amino]-3-methylbutanoic acid
CID 81069914
5-[[ethyl(2-methylpropyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid
CID 62966207
4-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838341
2-amino-N-ethyl-N-(2-methylpropyl)propanamide
CID 43273810
2-cyclohexyl-2-[[ethyl(2-methylpropyl)carbamoyl]amino]acetic acid
CID 61197769
1-[[[ethyl(2-methylpropyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451233
6-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-methylheptanoic acid
CID 65290123

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-1-(2-methylpropyl)urea?
The IUPAC name of 1-ethyl-3-methyl-1-(2-methylpropyl)urea (CID 59108349) is 1-ethyl-3-methyl-1-(2-methylpropyl)urea.
What is the SMILES notation for 1-ethyl-3-methyl-1-(2-methylpropyl)urea?
The canonical SMILES for 1-ethyl-3-methyl-1-(2-methylpropyl)urea is CCN(CC(C)C)C(=O)NC.
What is the InChIKey of 1-ethyl-3-methyl-1-(2-methylpropyl)urea?
The InChIKey is VMTYFWVPFKGHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-5-10(6-7(2)3)8(11)9-4/h7H,5-6H2,1-4H3,(H,9,11).
What are the key properties of 1-ethyl-3-methyl-1-(2-methylpropyl)urea?
1-ethyl-3-methyl-1-(2-methylpropyl)urea has a molecular weight of 158.25 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-1-(2-methylpropyl)urea is sourced from PubChem (CID 59108349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).