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

C16H26N2O2 — CID 110775842

IUPAC1-tert-butyl-3-[2-(4-ethoxy-3-methylphenyl)ethyl]urea
SMILESCCOc1ccc(CCNC(=O)NC(C)(C)C)cc1C
InChIInChI=1S/C16H26N2O2/c1-6-20-14-8-7-13(11-12(14)2)9-10-17-15(19)18-16(3,4)5/h7-8,11H,6,9-10H2,1-5H3,(H2,17,18,19)
InChIKeyVIWJWRILZOYJFH-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.03
Rot. Bonds5

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

1-tert-butyl-3-[2-(4-ethoxy-3-methylphenyl)ethyl]urea (PubChem CID 110775842) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-tert-butyl-3-[2-(4-ethoxy-3-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[2-(4-ethoxy-3-methylphenyl)ethyl]urea
PubChem CID110775842
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-tert-butyl-3-[2-(4-ethoxy-3-methylphenyl)ethyl]urea
SMILESCCOc1ccc(CCNC(=O)NC(C)(C)C)cc1C
InChIInChI=1S/C16H26N2O2/c1-6-20-14-8-7-13(11-12(14)2)9-10-17-15(19)18-16(3,4)5/h7-8,11H,6,9-10H2,1-5H3,(H2,17,18,19)
InChIKeyVIWJWRILZOYJFH-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-ethoxy-3-methylphenyl)ethyl]acetamide
CID 110788838
N-[2-(4-ethoxy-3-methylphenyl)ethyl]-2-(methylamino)acetamide
CID 115152025
1-tert-butyl-3-[2-(3-fluoro-4-methoxyphenyl)ethyl]urea
CID 110775669
3-amino-N-[2-(4-ethoxy-3-methylphenyl)ethyl]butanamide
CID 115154337
4-[2-(4-ethoxy-3-methylphenyl)ethylamino]butan-2-one
CID 115235921
1-tert-butyl-2-[(4-ethoxy-3-methylphenyl)methyl]-3-ethylguanidine;hydroiodide
CID 111547260
4-(4-ethoxy-3-methylphenyl)-2-methylbutan-2-amine
CID 96659154
ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate
CID 60637680
2-(3-ethoxy-4-methoxyphenyl)ethylcarbamic acid
CID 16638088
1-butyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108888179
N-[(4-ethoxy-3-methylphenyl)methyl]-2-methyl-2-(methylamino)propanamide
CID 115165723
N'-[2-(4-ethoxy-3-methylphenyl)ethyl]ethane-1,2-diamine
CID 115195419

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[2-(4-ethoxy-3-methylphenyl)ethyl]urea?
The IUPAC name of 1-tert-butyl-3-[2-(4-ethoxy-3-methylphenyl)ethyl]urea (CID 110775842) is 1-tert-butyl-3-[2-(4-ethoxy-3-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-tert-butyl-3-[2-(4-ethoxy-3-methylphenyl)ethyl]urea?
The canonical SMILES for 1-tert-butyl-3-[2-(4-ethoxy-3-methylphenyl)ethyl]urea is CCOc1ccc(CCNC(=O)NC(C)(C)C)cc1C.
What is the InChIKey of 1-tert-butyl-3-[2-(4-ethoxy-3-methylphenyl)ethyl]urea?
The InChIKey is VIWJWRILZOYJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-6-20-14-8-7-13(11-12(14)2)9-10-17-15(19)18-16(3,4)5/h7-8,11H,6,9-10H2,1-5H3,(H2,17,18,19).
What are the key properties of 1-tert-butyl-3-[2-(4-ethoxy-3-methylphenyl)ethyl]urea?
1-tert-butyl-3-[2-(4-ethoxy-3-methylphenyl)ethyl]urea has a molecular weight of 278.40 g/mol, XLogP of 3.03, 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-[2-(4-ethoxy-3-methylphenyl)ethyl]urea is sourced from PubChem (CID 110775842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).