1-tert-butyl-3-[2-(2-methylphenoxy)ethyl]urea

C14H22N2O2 — CID 112969797

IUPAC1-tert-butyl-3-[2-(2-methylphenoxy)ethyl]urea
SMILESCc1ccccc1OCCNC(=O)NC(C)(C)C
InChIInChI=1S/C14H22N2O2/c1-11-7-5-6-8-12(11)18-10-9-15-13(17)16-14(2,3)4/h5-8H,9-10H2,1-4H3,(H2,15,16,17)
InChIKeyBYFQFSCNJAVZAR-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.47
Rot. Bonds4

About 1-tert-butyl-3-[2-(2-methylphenoxy)ethyl]urea

1-tert-butyl-3-[2-(2-methylphenoxy)ethyl]urea (PubChem CID 112969797) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-tert-butyl-3-[2-(2-methylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[2-(2-methylphenoxy)ethyl]urea
PubChem CID112969797
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-tert-butyl-3-[2-(2-methylphenoxy)ethyl]urea
SMILESCc1ccccc1OCCNC(=O)NC(C)(C)C
InChIInChI=1S/C14H22N2O2/c1-11-7-5-6-8-12(11)18-10-9-15-13(17)16-14(2,3)4/h5-8H,9-10H2,1-4H3,(H2,15,16,17)
InChIKeyBYFQFSCNJAVZAR-UHFFFAOYSA-N
XLogP2.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 47307518
1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 111505101
1-ethyl-3-[3-(2-methylphenoxy)propyl]urea
CID 108883834
(2S)-2-amino-3,3-dimethyl-N-[2-(2-methylphenoxy)ethyl]butanamide
CID 119742932
1-(2-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969846
1-cycloheptyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969798
2-amino-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride
CID 119300070
1-(4-acetylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969860
2-(methylamino)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride
CID 119742926
2-N,5-N-bis[2-(2-methylphenoxy)ethyl]thiophene-2,5-dicarboxamide
CID 2227968
1-[2-(2-methoxyphenoxy)ethyl]-3-(2-methylphenyl)urea
CID 112971428
N-[3-[3-(2-methylphenoxy)propylcarbamoylamino]propyl]formamide
CID 108883904

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[2-(2-methylphenoxy)ethyl]urea?
The IUPAC name of 1-tert-butyl-3-[2-(2-methylphenoxy)ethyl]urea (CID 112969797) is 1-tert-butyl-3-[2-(2-methylphenoxy)ethyl]urea.
What is the SMILES notation for 1-tert-butyl-3-[2-(2-methylphenoxy)ethyl]urea?
The canonical SMILES for 1-tert-butyl-3-[2-(2-methylphenoxy)ethyl]urea is Cc1ccccc1OCCNC(=O)NC(C)(C)C.
What is the InChIKey of 1-tert-butyl-3-[2-(2-methylphenoxy)ethyl]urea?
The InChIKey is BYFQFSCNJAVZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11-7-5-6-8-12(11)18-10-9-15-13(17)16-14(2,3)4/h5-8H,9-10H2,1-4H3,(H2,15,16,17).
What are the key properties of 1-tert-butyl-3-[2-(2-methylphenoxy)ethyl]urea?
1-tert-butyl-3-[2-(2-methylphenoxy)ethyl]urea has a molecular weight of 250.34 g/mol, XLogP of 2.47, 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-(2-methylphenoxy)ethyl]urea is sourced from PubChem (CID 112969797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).