1-[4-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-3-methylurea

C20H26N2O2 — CID 126515913

IUPAC1-[4-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-3-methylurea
SMILESCCc1ccc(OCc2cc(CC)ccc2NC(=O)NC)c(C)c1
InChIInChI=1S/C20H26N2O2/c1-5-15-8-10-19(14(3)11-15)24-13-17-12-16(6-2)7-9-18(17)22-20(23)21-4/h7-12H,5-6,13H2,1-4H3,(H2,21,22,23)
InChIKeyZZVQSZWQWBKWEU-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.45
Rot. Bonds6

About 1-[4-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-3-methylurea

1-[4-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-3-methylurea (PubChem CID 126515913) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[4-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-3-methylurea.

Molecular Properties

Compound Name1-[4-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-3-methylurea
PubChem CID126515913
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name1-[4-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-3-methylurea
SMILESCCc1ccc(OCc2cc(CC)ccc2NC(=O)NC)c(C)c1
InChIInChI=1S/C20H26N2O2/c1-5-15-8-10-19(14(3)11-15)24-13-17-12-16(6-2)7-9-18(17)22-20(23)21-4/h7-12H,5-6,13H2,1-4H3,(H2,21,22,23)
InChIKeyZZVQSZWQWBKWEU-UHFFFAOYSA-N
XLogP4.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-ethenyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-3-methylurea
CID 126515985
1-[2-[(4-ethyl-2-methylphenoxy)methyl]-5-(trifluoromethyl)phenyl]-3-methylurea
CID 126588608
1-[5-(difluoromethyl)-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-3-methylurea
CID 126515823
1-(4-ethyl-2-methylphenyl)-3-methylurea
CID 23348894
N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-iodophenyl]propanamide
CID 126588569
methyl N-[4-bromo-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate
CID 126589168
N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-methoxyphenyl]propanamide
CID 126588571
S-methyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-iodophenyl]carbamothioate
CID 126587970
1-[3-(difluoromethyl)-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-3-methylurea
CID 126589307
difluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-fluorophenyl]carbamate
CID 126515964
ethyl N-[5-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate
CID 126589055
N-[4-chloro-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanethioamide
CID 126589418

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-3-methylurea?
The IUPAC name of 1-[4-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-3-methylurea (CID 126515913) is 1-[4-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-3-methylurea.
What is the SMILES notation for 1-[4-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-3-methylurea?
The canonical SMILES for 1-[4-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-3-methylurea is CCc1ccc(OCc2cc(CC)ccc2NC(=O)NC)c(C)c1.
What is the InChIKey of 1-[4-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-3-methylurea?
The InChIKey is ZZVQSZWQWBKWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-5-15-8-10-19(14(3)11-15)24-13-17-12-16(6-2)7-9-18(17)22-20(23)21-4/h7-12H,5-6,13H2,1-4H3,(H2,21,22,23).
What are the key properties of 1-[4-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-3-methylurea?
1-[4-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-3-methylurea has a molecular weight of 326.44 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-3-methylurea is sourced from PubChem (CID 126515913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).