1-[2-(3-ethoxyphenoxy)ethyl]-3-(1-phenylethyl)urea

C19H24N2O3 — CID 112972965

IUPAC1-[2-(3-ethoxyphenoxy)ethyl]-3-(1-phenylethyl)urea
SMILESCCOc1cccc(OCCNC(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C19H24N2O3/c1-3-23-17-10-7-11-18(14-17)24-13-12-20-19(22)21-15(2)16-8-5-4-6-9-16/h4-11,14-15H,3,12-13H2,1-2H3,(H2,20,21,22)
InChIKeyRPCMKWJEMABHHF-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.52
Rot. Bonds8

About 1-[2-(3-ethoxyphenoxy)ethyl]-3-(1-phenylethyl)urea

1-[2-(3-ethoxyphenoxy)ethyl]-3-(1-phenylethyl)urea (PubChem CID 112972965) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-[2-(3-ethoxyphenoxy)ethyl]-3-(1-phenylethyl)urea.

Molecular Properties

Compound Name1-[2-(3-ethoxyphenoxy)ethyl]-3-(1-phenylethyl)urea
PubChem CID112972965
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-[2-(3-ethoxyphenoxy)ethyl]-3-(1-phenylethyl)urea
SMILESCCOc1cccc(OCCNC(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C19H24N2O3/c1-3-23-17-10-7-11-18(14-17)24-13-12-20-19(22)21-15(2)16-8-5-4-6-9-16/h4-11,14-15H,3,12-13H2,1-2H3,(H2,20,21,22)
InChIKeyRPCMKWJEMABHHF-UHFFFAOYSA-N
XLogP3.52
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(R)-tert-butylsulfinyl]ethyl]-3-[(1R)-1-(3-ethoxyphenyl)ethyl]urea
CID 95344471
N-[2-(3-ethoxyphenoxy)ethyl]propanamide
CID 113100561
N-[3-[1-(3-phenoxypropylcarbamoylamino)ethyl]phenyl]acetamide
CID 51113600
1-butyl-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112972940
1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-phenoxyethyl)urea
CID 108886994
N-[2-[[(1R)-1-(3-ethoxyphenyl)ethyl]carbamoylamino]ethyl]furan-2-carboxamide
CID 95041246
1-cyclopropyl-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112972938
N-[1-(3-ethoxyphenyl)ethyl]-2-hydroxy-2-phenylacetamide
CID 111432554
1-[2-(3-methoxyphenyl)ethyl]-3-(1-phenylethyl)urea
CID 86992683
1-[2-(4-ethoxyphenoxy)ethyl]-3-(1-thiophen-2-ylethyl)urea
CID 42924663
1-[2-(3-bromophenoxy)ethyl]-3-propan-2-ylurea
CID 47329489
1-[1-(3-ethoxyphenyl)ethyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 110909256

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethoxyphenoxy)ethyl]-3-(1-phenylethyl)urea?
The IUPAC name of 1-[2-(3-ethoxyphenoxy)ethyl]-3-(1-phenylethyl)urea (CID 112972965) is 1-[2-(3-ethoxyphenoxy)ethyl]-3-(1-phenylethyl)urea.
What is the SMILES notation for 1-[2-(3-ethoxyphenoxy)ethyl]-3-(1-phenylethyl)urea?
The canonical SMILES for 1-[2-(3-ethoxyphenoxy)ethyl]-3-(1-phenylethyl)urea is CCOc1cccc(OCCNC(=O)NC(C)c2ccccc2)c1.
What is the InChIKey of 1-[2-(3-ethoxyphenoxy)ethyl]-3-(1-phenylethyl)urea?
The InChIKey is RPCMKWJEMABHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-3-23-17-10-7-11-18(14-17)24-13-12-20-19(22)21-15(2)16-8-5-4-6-9-16/h4-11,14-15H,3,12-13H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-[2-(3-ethoxyphenoxy)ethyl]-3-(1-phenylethyl)urea?
1-[2-(3-ethoxyphenoxy)ethyl]-3-(1-phenylethyl)urea has a molecular weight of 328.41 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethoxyphenoxy)ethyl]-3-(1-phenylethyl)urea is sourced from PubChem (CID 112972965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).