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

C16H26N2O2 — CID 60562621

IUPAC1,1-diethyl-3-[[2-(2-methylpropoxy)phenyl]methyl]urea
SMILESCCN(CC)C(=O)NCc1ccccc1OCC(C)C
InChIInChI=1S/C16H26N2O2/c1-5-18(6-2)16(19)17-11-14-9-7-8-10-15(14)20-12-13(3)4/h7-10,13H,5-6,11-12H2,1-4H3,(H,17,19)
InChIKeyFUELUIJNAHVLSO-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.27
Rot. Bonds7

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

1,1-diethyl-3-[[2-(2-methylpropoxy)phenyl]methyl]urea (PubChem CID 60562621) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1,1-diethyl-3-[[2-(2-methylpropoxy)phenyl]methyl]urea.

Molecular Properties

Compound Name1,1-diethyl-3-[[2-(2-methylpropoxy)phenyl]methyl]urea
PubChem CID60562621
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1,1-diethyl-3-[[2-(2-methylpropoxy)phenyl]methyl]urea
SMILESCCN(CC)C(=O)NCc1ccccc1OCC(C)C
InChIInChI=1S/C16H26N2O2/c1-5-18(6-2)16(19)17-11-14-9-7-8-10-15(14)20-12-13(3)4/h7-10,13H,5-6,11-12H2,1-4H3,(H,17,19)
InChIKeyFUELUIJNAHVLSO-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-diethyl-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
CID 111459245
1,1-diethyl-3-[[4-(2-methylpropoxy)phenyl]methyl]urea
CID 60547827
3-[(2-aminophenyl)methyl]-1,1-diethylurea
CID 79153335
2-amino-2-(4-methylphenyl)-N-[[2-(2-methylpropoxy)phenyl]methyl]acetamide
CID 120667659
1-ethyl-1-(2-hydroxyethyl)-3-[(2-phenoxyphenyl)methyl]urea
CID 110909282
N,N-diethyl-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 43277363
1-[(3,4-dimethoxyphenyl)methyl]-3-[[2-(2-methylpropoxy)phenyl]methyl]urea
CID 60554654
1-[2-(2-methylpropoxy)phenyl]propan-2-ol
CID 82161419
2-[ethyl-[3-[[2-(2-methylpropoxy)phenyl]methylamino]cyclobutyl]amino]acetic acid
CID 122042127
1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-[[2-(2-methylpropoxy)phenyl]methyl]urea
CID 86887365
4-bromo-N-[[2-(2-methylpropoxy)phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56566997
N-[(2-ethylphenyl)methyl]-2-(2-methylpropoxy)aniline
CID 63453225

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-[[2-(2-methylpropoxy)phenyl]methyl]urea?
The IUPAC name of 1,1-diethyl-3-[[2-(2-methylpropoxy)phenyl]methyl]urea (CID 60562621) is 1,1-diethyl-3-[[2-(2-methylpropoxy)phenyl]methyl]urea.
What is the SMILES notation for 1,1-diethyl-3-[[2-(2-methylpropoxy)phenyl]methyl]urea?
The canonical SMILES for 1,1-diethyl-3-[[2-(2-methylpropoxy)phenyl]methyl]urea is CCN(CC)C(=O)NCc1ccccc1OCC(C)C.
What is the InChIKey of 1,1-diethyl-3-[[2-(2-methylpropoxy)phenyl]methyl]urea?
The InChIKey is FUELUIJNAHVLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-18(6-2)16(19)17-11-14-9-7-8-10-15(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-[[2-(2-methylpropoxy)phenyl]methyl]urea?
1,1-diethyl-3-[[2-(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-[[2-(2-methylpropoxy)phenyl]methyl]urea is sourced from PubChem (CID 60562621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).