1-tert-butyl-3-[[4-(2-methoxyethoxy)phenyl]methyl]urea

C15H24N2O3 — CID 110774966

IUPAC1-tert-butyl-3-[[4-(2-methoxyethoxy)phenyl]methyl]urea
SMILESCOCCOc1ccc(CNC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C15H24N2O3/c1-15(2,3)17-14(18)16-11-12-5-7-13(8-6-12)20-10-9-19-4/h5-8H,9-11H2,1-4H3,(H2,16,17,18)
InChIKeyKBEGKFXDAFMESO-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.31
Rot. Bonds6

About 1-tert-butyl-3-[[4-(2-methoxyethoxy)phenyl]methyl]urea

1-tert-butyl-3-[[4-(2-methoxyethoxy)phenyl]methyl]urea (PubChem CID 110774966) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-tert-butyl-3-[[4-(2-methoxyethoxy)phenyl]methyl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[[4-(2-methoxyethoxy)phenyl]methyl]urea
PubChem CID110774966
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-tert-butyl-3-[[4-(2-methoxyethoxy)phenyl]methyl]urea
SMILESCOCCOc1ccc(CNC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C15H24N2O3/c1-15(2,3)17-14(18)16-11-12-5-7-13(8-6-12)20-10-9-19-4/h5-8H,9-11H2,1-4H3,(H2,16,17,18)
InChIKeyKBEGKFXDAFMESO-UHFFFAOYSA-N
XLogP2.31
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-tert-butyl-3-[[4-(2-methylpropoxy)phenyl]methyl]urea
CID 110774962
1-tert-butyl-3-[[4-(hydroxymethyl)phenyl]methyl]urea
CID 108896929
[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methylcarbamic acid
CID 170306694
1-tert-butyl-3-[(4-fluorophenyl)methyl]urea
CID 59397344
2-amino-3-methoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]propanamide
CID 120985903
1-[(4-ethoxyphenyl)methyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 108884584
1-tert-butyl-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 115576607
1-(3-bromo-4-methylphenyl)-3-[[4-(2-methoxyethoxy)phenyl]methyl]urea
CID 78874640
2-(2,4-dichlorophenyl)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 55662831
2-(3,4-dimethoxyphenyl)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 55662830
N-[[4-(2-methoxyethoxy)phenyl]methyl]pyridine-2-carboxamide
CID 110793787
1-hydroxy-3-[[4-[7-[4-[(hydroxycarbamoylamino)methyl]phenoxy]heptoxy]phenyl]methyl]urea
CID 19038480

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[[4-(2-methoxyethoxy)phenyl]methyl]urea?
The IUPAC name of 1-tert-butyl-3-[[4-(2-methoxyethoxy)phenyl]methyl]urea (CID 110774966) is 1-tert-butyl-3-[[4-(2-methoxyethoxy)phenyl]methyl]urea.
What is the SMILES notation for 1-tert-butyl-3-[[4-(2-methoxyethoxy)phenyl]methyl]urea?
The canonical SMILES for 1-tert-butyl-3-[[4-(2-methoxyethoxy)phenyl]methyl]urea is COCCOc1ccc(CNC(=O)NC(C)(C)C)cc1.
What is the InChIKey of 1-tert-butyl-3-[[4-(2-methoxyethoxy)phenyl]methyl]urea?
The InChIKey is KBEGKFXDAFMESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-15(2,3)17-14(18)16-11-12-5-7-13(8-6-12)20-10-9-19-4/h5-8H,9-11H2,1-4H3,(H2,16,17,18).
What are the key properties of 1-tert-butyl-3-[[4-(2-methoxyethoxy)phenyl]methyl]urea?
1-tert-butyl-3-[[4-(2-methoxyethoxy)phenyl]methyl]urea has a molecular weight of 280.37 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[[4-(2-methoxyethoxy)phenyl]methyl]urea is sourced from PubChem (CID 110774966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).