1,1-diethyl-3-[[4-(2-methylpropoxy)phenyl]methyl]urea

C16H26N2O2 — CID 60547827

IUPAC1,1-diethyl-3-[[4-(2-methylpropoxy)phenyl]methyl]urea
SMILESCCN(CC)C(=O)NCc1ccc(OCC(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-5-18(6-2)16(19)17-11-14-7-9-15(10-8-14)20-12-13(3)4/h7-10,13H,5-6,11-12H2,1-4H3,(H,17,19)
InChIKeyPQBGQUWUCZHSJE-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.27
Rot. Bonds7

About 1,1-diethyl-3-[[4-(2-methylpropoxy)phenyl]methyl]urea

1,1-diethyl-3-[[4-(2-methylpropoxy)phenyl]methyl]urea (PubChem CID 60547827) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1,1-diethyl-3-[[4-(2-methylpropoxy)phenyl]methyl]urea.

Molecular Properties

Compound Name1,1-diethyl-3-[[4-(2-methylpropoxy)phenyl]methyl]urea
PubChem CID60547827
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1,1-diethyl-3-[[4-(2-methylpropoxy)phenyl]methyl]urea
SMILESCCN(CC)C(=O)NCc1ccc(OCC(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-5-18(6-2)16(19)17-11-14-7-9-15(10-8-14)20-12-13(3)4/h7-10,13H,5-6,11-12H2,1-4H3,(H,17,19)
InChIKeyPQBGQUWUCZHSJE-UHFFFAOYSA-N
XLogP3.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,3-tris[[4-(2-methylpropoxy)phenyl]methyl]urea
CID 175674842
1,1-diethyl-3-[(4-methoxyphenyl)methyl]urea
CID 2988168
1,3-bis[[4-(2-methylpropoxy)phenyl]methyl]urea;ethane
CID 143580549
N,N-diethyl-4-(2-methylpropoxy)benzamide
CID 60635917
3-[(4-ethoxyphenyl)methyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 108884453
1,1-diethyl-3-[[2-(2-methylpropoxy)phenyl]methyl]urea
CID 60562621
1-tert-butyl-3-[[4-(2-methylpropoxy)phenyl]methyl]urea
CID 110774962
3-[(4-ethoxyphenyl)methyl]-1,1-dipropylurea
CID 108884488
1,1-diethyl-3-[(4-fluorophenyl)methyl]urea
CID 3851579
N',N'-diethyl-N-[[4-(2-methylpropoxy)phenyl]methyl]ethane-1,2-diamine
CID 54803547
4-(2-methylpropoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 43911075
N-[[4-(2-methylpropoxy)phenyl]methyl]furan-2-carboxamide
CID 110781155

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-[[4-(2-methylpropoxy)phenyl]methyl]urea?
The IUPAC name of 1,1-diethyl-3-[[4-(2-methylpropoxy)phenyl]methyl]urea (CID 60547827) is 1,1-diethyl-3-[[4-(2-methylpropoxy)phenyl]methyl]urea.
What is the SMILES notation for 1,1-diethyl-3-[[4-(2-methylpropoxy)phenyl]methyl]urea?
The canonical SMILES for 1,1-diethyl-3-[[4-(2-methylpropoxy)phenyl]methyl]urea is CCN(CC)C(=O)NCc1ccc(OCC(C)C)cc1.
What is the InChIKey of 1,1-diethyl-3-[[4-(2-methylpropoxy)phenyl]methyl]urea?
The InChIKey is PQBGQUWUCZHSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-18(6-2)16(19)17-11-14-7-9-15(10-8-14)20-12-13(3)4/h7-10,13H,5-6,11-12H2,1-4H3,(H,17,19).
What are the key properties of 1,1-diethyl-3-[[4-(2-methylpropoxy)phenyl]methyl]urea?
1,1-diethyl-3-[[4-(2-methylpropoxy)phenyl]methyl]urea has a molecular weight of 278.40 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-[[4-(2-methylpropoxy)phenyl]methyl]urea is sourced from PubChem (CID 60547827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).