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

C19H24N2O4 — CID 108890683

IUPAC1-[(4-ethoxyphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea
SMILESCCOc1ccc(OCNC(=O)NC(C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H24N2O4/c1-4-24-17-9-11-18(12-10-17)25-13-20-19(22)21-14(2)15-5-7-16(23-3)8-6-15/h5-12,14H,4,13H2,1-3H3,(H2,20,21,22)
InChIKeyYMBAWLPCYIKZPF-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.49
Rot. Bonds8

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

1-[(4-ethoxyphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea (PubChem CID 108890683) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-[(4-ethoxyphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(4-ethoxyphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea
PubChem CID108890683
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name1-[(4-ethoxyphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea
SMILESCCOc1ccc(OCNC(=O)NC(C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H24N2O4/c1-4-24-17-9-11-18(12-10-17)25-13-20-19(22)21-14(2)15-5-7-16(23-3)8-6-15/h5-12,14H,4,13H2,1-3H3,(H2,20,21,22)
InChIKeyYMBAWLPCYIKZPF-UHFFFAOYSA-N
XLogP3.49
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-ethylphenyl)ethyl]urea
CID 108890686
1-(methoxymethyl)-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108893562
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108877926
1-[(2-ethylphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108893244
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
CID 880654
N-[1-(4-ethoxyphenyl)ethyl]-2-(4-methoxyphenoxy)butanamide
CID 43876210
1-[1-(4-ethoxyphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea
CID 110892427
1-[1-(4-ethoxyphenyl)ethyl]-3-[(2-fluorophenyl)methyl]urea
CID 16579741
1-[2-(4-chlorophenyl)ethyl]-3-[(1S)-1-(4-ethoxyphenyl)ethyl]urea
CID 41105338
3-ethoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 1252585
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methoxybenzamide
CID 33300897
N-[(S)-(4-ethoxyphenyl)-(4-methoxyphenyl)methyl]acetamide
CID 878876

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxyphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-[(4-ethoxyphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea (CID 108890683) is 1-[(4-ethoxyphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[(4-ethoxyphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-[(4-ethoxyphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea is CCOc1ccc(OCNC(=O)NC(C)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[(4-ethoxyphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea?
The InChIKey is YMBAWLPCYIKZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-4-24-17-9-11-18(12-10-17)25-13-20-19(22)21-14(2)15-5-7-16(23-3)8-6-15/h5-12,14H,4,13H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-[(4-ethoxyphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea?
1-[(4-ethoxyphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea has a molecular weight of 344.41 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxyphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 108890683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).