1-[2-(3,5-dimethylphenoxy)ethyl]-3-(2-phenylethyl)urea

C19H24N2O2 — CID 52743823

IUPAC1-[2-(3,5-dimethylphenoxy)ethyl]-3-(2-phenylethyl)urea
SMILESCc1cc(C)cc(OCCNC(=O)NCCc2ccccc2)c1
InChIInChI=1S/C19H24N2O2/c1-15-12-16(2)14-18(13-15)23-11-10-21-19(22)20-9-8-17-6-4-3-5-7-17/h3-7,12-14H,8-11H2,1-2H3,(H2,20,21,22)
InChIKeyAOSGOSWHYJNIRI-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.22
Rot. Bonds7

About 1-[2-(3,5-dimethylphenoxy)ethyl]-3-(2-phenylethyl)urea

1-[2-(3,5-dimethylphenoxy)ethyl]-3-(2-phenylethyl)urea (PubChem CID 52743823) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylphenoxy)ethyl]-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-[2-(3,5-dimethylphenoxy)ethyl]-3-(2-phenylethyl)urea
PubChem CID52743823
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-[2-(3,5-dimethylphenoxy)ethyl]-3-(2-phenylethyl)urea
SMILESCc1cc(C)cc(OCCNC(=O)NCCc2ccccc2)c1
InChIInChI=1S/C19H24N2O2/c1-15-12-16(2)14-18(13-15)23-11-10-21-19(22)20-9-8-17-6-4-3-5-7-17/h3-7,12-14H,8-11H2,1-2H3,(H2,20,21,22)
InChIKeyAOSGOSWHYJNIRI-UHFFFAOYSA-N
XLogP3.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.22
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

N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenoxyacetamide
CID 19173987
1-[2-(3,5-dimethylphenoxy)ethyl]-3-(pyridin-3-ylmethyl)urea
CID 60573209
1-[2-(3,5-dimethylphenoxy)ethyl]-3-(3-hydroxypropyl)urea
CID 110904066
1-butyl-3-[2-(3,5-dimethylphenoxy)ethyl]urea
CID 112973945
1-[2-(2-ethylphenoxy)ethyl]-3-(2-phenylethyl)urea
CID 112971668
1-[2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970038
N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenylsulfanylpropanamide
CID 133166181
2-[2-(3,5-dimethylphenoxy)ethylamino]-2-oxoacetic acid
CID 82129666
1-[2-(3,5-dimethylphenoxy)ethyl]-3-(furan-2-ylmethyl)urea
CID 112973955
N-[2-(4-aminophenyl)ethyl]-3-(3,5-dimethylphenoxy)propanamide
CID 119548986
N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide
CID 5227207
1-(3-phenylpropyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974458

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylphenoxy)ethyl]-3-(2-phenylethyl)urea?
The IUPAC name of 1-[2-(3,5-dimethylphenoxy)ethyl]-3-(2-phenylethyl)urea (CID 52743823) is 1-[2-(3,5-dimethylphenoxy)ethyl]-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-[2-(3,5-dimethylphenoxy)ethyl]-3-(2-phenylethyl)urea?
The canonical SMILES for 1-[2-(3,5-dimethylphenoxy)ethyl]-3-(2-phenylethyl)urea is Cc1cc(C)cc(OCCNC(=O)NCCc2ccccc2)c1.
What is the InChIKey of 1-[2-(3,5-dimethylphenoxy)ethyl]-3-(2-phenylethyl)urea?
The InChIKey is AOSGOSWHYJNIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-15-12-16(2)14-18(13-15)23-11-10-21-19(22)20-9-8-17-6-4-3-5-7-17/h3-7,12-14H,8-11H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-[2-(3,5-dimethylphenoxy)ethyl]-3-(2-phenylethyl)urea?
1-[2-(3,5-dimethylphenoxy)ethyl]-3-(2-phenylethyl)urea has a molecular weight of 312.41 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylphenoxy)ethyl]-3-(2-phenylethyl)urea is sourced from PubChem (CID 52743823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).