1-[(4-ethoxyphenoxy)methyl]-3-[1-(4-ethylphenyl)ethyl]urea

C20H26N2O3 — CID 108890686

IUPAC1-[(4-ethoxyphenoxy)methyl]-3-[1-(4-ethylphenyl)ethyl]urea
SMILESCCOc1ccc(OCNC(=O)NC(C)c2ccc(CC)cc2)cc1
InChIInChI=1S/C20H26N2O3/c1-4-16-6-8-17(9-7-16)15(3)22-20(23)21-14-25-19-12-10-18(11-13-19)24-5-2/h6-13,15H,4-5,14H2,1-3H3,(H2,21,22,23)
InChIKeyKIGBTFWZZISGMI-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.04
Rot. Bonds8

About 1-[(4-ethoxyphenoxy)methyl]-3-[1-(4-ethylphenyl)ethyl]urea

1-[(4-ethoxyphenoxy)methyl]-3-[1-(4-ethylphenyl)ethyl]urea (PubChem CID 108890686) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[(4-ethoxyphenoxy)methyl]-3-[1-(4-ethylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(4-ethoxyphenoxy)methyl]-3-[1-(4-ethylphenyl)ethyl]urea
PubChem CID108890686
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-[(4-ethoxyphenoxy)methyl]-3-[1-(4-ethylphenyl)ethyl]urea
SMILESCCOc1ccc(OCNC(=O)NC(C)c2ccc(CC)cc2)cc1
InChIInChI=1S/C20H26N2O3/c1-4-16-6-8-17(9-7-16)15(3)22-20(23)21-14-25-19-12-10-18(11-13-19)24-5-2/h6-13,15H,4-5,14H2,1-3H3,(H2,21,22,23)
InChIKeyKIGBTFWZZISGMI-UHFFFAOYSA-N
XLogP4.04
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[(4-ethoxyphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108890683
1-[2-(4-chlorophenyl)ethyl]-3-[(1S)-1-(4-ethoxyphenyl)ethyl]urea
CID 41105338
[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 4-ethoxybenzoate
CID 8580616
1-[(1R)-1-(4-ethylphenyl)ethyl]-3-propylurea
CID 94828358
3-(4-ethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide
CID 108795767
1-[1-(4-ethoxyphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea
CID 110892427
N-[1-(4-ethoxyphenyl)ethyl]-4-ethylaniline
CID 43093553
1-[1-(4-ethoxyphenyl)ethyl]-3-[(2-fluorophenyl)methyl]urea
CID 16579741
1-[(2-ethylphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108893244
1-[1-(4-ethylphenyl)ethyl]-3-prop-2-enylurea
CID 127510643
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-phenylacetamide
CID 880798
N-[1-(4-ethylphenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 110876929

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxyphenoxy)methyl]-3-[1-(4-ethylphenyl)ethyl]urea?
The IUPAC name of 1-[(4-ethoxyphenoxy)methyl]-3-[1-(4-ethylphenyl)ethyl]urea (CID 108890686) is 1-[(4-ethoxyphenoxy)methyl]-3-[1-(4-ethylphenyl)ethyl]urea.
What is the SMILES notation for 1-[(4-ethoxyphenoxy)methyl]-3-[1-(4-ethylphenyl)ethyl]urea?
The canonical SMILES for 1-[(4-ethoxyphenoxy)methyl]-3-[1-(4-ethylphenyl)ethyl]urea is CCOc1ccc(OCNC(=O)NC(C)c2ccc(CC)cc2)cc1.
What is the InChIKey of 1-[(4-ethoxyphenoxy)methyl]-3-[1-(4-ethylphenyl)ethyl]urea?
The InChIKey is KIGBTFWZZISGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-4-16-6-8-17(9-7-16)15(3)22-20(23)21-14-25-19-12-10-18(11-13-19)24-5-2/h6-13,15H,4-5,14H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-[(4-ethoxyphenoxy)methyl]-3-[1-(4-ethylphenyl)ethyl]urea?
1-[(4-ethoxyphenoxy)methyl]-3-[1-(4-ethylphenyl)ethyl]urea has a molecular weight of 342.44 g/mol, XLogP of 4.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxyphenoxy)methyl]-3-[1-(4-ethylphenyl)ethyl]urea is sourced from PubChem (CID 108890686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).