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

C16H26N2O2 — CID 110774962

IUPAC1-tert-butyl-3-[[4-(2-methylpropoxy)phenyl]methyl]urea
SMILESCC(C)COc1ccc(CNC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-12(2)11-20-14-8-6-13(7-9-14)10-17-15(19)18-16(3,4)5/h6-9,12H,10-11H2,1-5H3,(H2,17,18,19)
InChIKeyFOVLTFDKJCTSCB-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.32
Rot. Bonds5

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

1-tert-butyl-3-[[4-(2-methylpropoxy)phenyl]methyl]urea (PubChem CID 110774962) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-tert-butyl-3-[[4-(2-methylpropoxy)phenyl]methyl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[[4-(2-methylpropoxy)phenyl]methyl]urea
PubChem CID110774962
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-tert-butyl-3-[[4-(2-methylpropoxy)phenyl]methyl]urea
SMILESCC(C)COc1ccc(CNC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-12(2)11-20-14-8-6-13(7-9-14)10-17-15(19)18-16(3,4)5/h6-9,12H,10-11H2,1-5H3,(H2,17,18,19)
InChIKeyFOVLTFDKJCTSCB-UHFFFAOYSA-N
XLogP3.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis[[4-(2-methylpropoxy)phenyl]methyl]urea;ethane
CID 143580549
1-tert-butyl-3-[[4-(2-methoxyethoxy)phenyl]methyl]urea
CID 110774966
1-tert-butyl-3-[[4-(hydroxymethyl)phenyl]methyl]urea
CID 108896929
1,1,3-tris[[4-(2-methylpropoxy)phenyl]methyl]urea
CID 175674842
1,1-diethyl-3-[[4-(2-methylpropoxy)phenyl]methyl]urea
CID 60547827
1-tert-butyl-3-[(4-fluorophenyl)methyl]urea
CID 59397344
4-(2-methylpropoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 43911075
1-[(4-ethoxyphenyl)methyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 108884584
ethane-1,1-disulfonic acid;[4-(2-methylpropoxy)phenyl]methylurea
CID 174650306
N-[[4-(2-methylpropoxy)phenyl]methyl]furan-2-carboxamide
CID 110781155
N-(1-amino-2-methylpropan-2-yl)-2-[4-(2-methylpropoxy)phenyl]acetamide
CID 119522663
1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-3-[(4-hydroxyphenyl)methyl]urea
CID 121495478

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[[4-(2-methylpropoxy)phenyl]methyl]urea?
The IUPAC name of 1-tert-butyl-3-[[4-(2-methylpropoxy)phenyl]methyl]urea (CID 110774962) is 1-tert-butyl-3-[[4-(2-methylpropoxy)phenyl]methyl]urea.
What is the SMILES notation for 1-tert-butyl-3-[[4-(2-methylpropoxy)phenyl]methyl]urea?
The canonical SMILES for 1-tert-butyl-3-[[4-(2-methylpropoxy)phenyl]methyl]urea is CC(C)COc1ccc(CNC(=O)NC(C)(C)C)cc1.
What is the InChIKey of 1-tert-butyl-3-[[4-(2-methylpropoxy)phenyl]methyl]urea?
The InChIKey is FOVLTFDKJCTSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)11-20-14-8-6-13(7-9-14)10-17-15(19)18-16(3,4)5/h6-9,12H,10-11H2,1-5H3,(H2,17,18,19).
What are the key properties of 1-tert-butyl-3-[[4-(2-methylpropoxy)phenyl]methyl]urea?
1-tert-butyl-3-[[4-(2-methylpropoxy)phenyl]methyl]urea has a molecular weight of 278.40 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[[4-(2-methylpropoxy)phenyl]methyl]urea is sourced from PubChem (CID 110774962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).