1-tert-butyl-3-[(2-ethoxy-4-methylphenyl)methyl]urea

C15H24N2O2 — CID 136514356

IUPAC1-tert-butyl-3-[(2-ethoxy-4-methylphenyl)methyl]urea
SMILESCCOc1cc(C)ccc1CNC(=O)NC(C)(C)C
InChIInChI=1S/C15H24N2O2/c1-6-19-13-9-11(2)7-8-12(13)10-16-14(18)17-15(3,4)5/h7-9H,6,10H2,1-5H3,(H2,16,17,18)
InChIKeyRBUIKLZYEQPENP-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.99
Rot. Bonds4

About 1-tert-butyl-3-[(2-ethoxy-4-methylphenyl)methyl]urea

1-tert-butyl-3-[(2-ethoxy-4-methylphenyl)methyl]urea (PubChem CID 136514356) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-tert-butyl-3-[(2-ethoxy-4-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[(2-ethoxy-4-methylphenyl)methyl]urea
PubChem CID136514356
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-tert-butyl-3-[(2-ethoxy-4-methylphenyl)methyl]urea
SMILESCCOc1cc(C)ccc1CNC(=O)NC(C)(C)C
InChIInChI=1S/C15H24N2O2/c1-6-19-13-9-11(2)7-8-12(13)10-16-14(18)17-15(3,4)5/h7-9H,6,10H2,1-5H3,(H2,16,17,18)
InChIKeyRBUIKLZYEQPENP-UHFFFAOYSA-N
XLogP2.99
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-ethoxy-4-methylphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120695854
4-amino-N-[(2-ethoxy-4-methylphenyl)methyl]pentanamide
CID 120563690
trans-(1R,2R)-2-[(2-ethoxy-4-methylphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 129402486
3-[(2-ethoxy-4-methylphenyl)methylcarbamoyl-methylamino]propanoic acid
CID 122006121
2-(2-ethoxy-4-methylphenyl)acetamide
CID 146656384
1-tert-butyl-3-[2-(4-ethoxy-3-methylphenyl)ethyl]urea
CID 110775842
3-amino-N-[(2-ethoxy-4-methylphenyl)methyl]-3-phenylpropanamide
CID 119952264
1-tert-butyl-3-[(2,4,5-trimethylphenyl)methyl]urea
CID 110775170
2-amino-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-methylpropanamide
CID 119339379
N-[(2-ethoxy-4-methylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119811235
2-(2-aminoethyl)-N-[(2-ethoxy-4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 120637306
1-[(2-ethoxy-4-methylphenyl)methyl]-3-[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 124572180

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[(2-ethoxy-4-methylphenyl)methyl]urea?
The IUPAC name of 1-tert-butyl-3-[(2-ethoxy-4-methylphenyl)methyl]urea (CID 136514356) is 1-tert-butyl-3-[(2-ethoxy-4-methylphenyl)methyl]urea.
What is the SMILES notation for 1-tert-butyl-3-[(2-ethoxy-4-methylphenyl)methyl]urea?
The canonical SMILES for 1-tert-butyl-3-[(2-ethoxy-4-methylphenyl)methyl]urea is CCOc1cc(C)ccc1CNC(=O)NC(C)(C)C.
What is the InChIKey of 1-tert-butyl-3-[(2-ethoxy-4-methylphenyl)methyl]urea?
The InChIKey is RBUIKLZYEQPENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-6-19-13-9-11(2)7-8-12(13)10-16-14(18)17-15(3,4)5/h7-9H,6,10H2,1-5H3,(H2,16,17,18).
What are the key properties of 1-tert-butyl-3-[(2-ethoxy-4-methylphenyl)methyl]urea?
1-tert-butyl-3-[(2-ethoxy-4-methylphenyl)methyl]urea has a molecular weight of 264.37 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[(2-ethoxy-4-methylphenyl)methyl]urea is sourced from PubChem (CID 136514356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).