1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-phenoxyethyl)urea

C19H24N2O4 — CID 108886994

IUPAC1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-phenoxyethyl)urea
SMILESCOc1ccc(C(C)NC(=O)NCCOc2ccccc2)cc1OC
InChIInChI=1S/C19H24N2O4/c1-14(15-9-10-17(23-2)18(13-15)24-3)21-19(22)20-11-12-25-16-7-5-4-6-8-16/h4-10,13-14H,11-12H2,1-3H3,(H2,20,21,22)
InChIKeyHKLRSWHEYQIJGG-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.14
Rot. Bonds8

About 1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-phenoxyethyl)urea

1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-phenoxyethyl)urea (PubChem CID 108886994) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-phenoxyethyl)urea.

Molecular Properties

Compound Name1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-phenoxyethyl)urea
PubChem CID108886994
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-phenoxyethyl)urea
SMILESCOc1ccc(C(C)NC(=O)NCCOc2ccccc2)cc1OC
InChIInChI=1S/C19H24N2O4/c1-14(15-9-10-17(23-2)18(13-15)24-3)21-19(22)20-11-12-25-16-7-5-4-6-8-16/h4-10,13-14H,11-12H2,1-3H3,(H2,20,21,22)
InChIKeyHKLRSWHEYQIJGG-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-(2-phenoxyethyl)urea
CID 90613676
1-[1-(3,4-dimethoxyphenyl)ethyl]-3-[(2-methoxyphenoxy)methyl]urea
CID 108892136
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-phenoxyethyl)urea
CID 38223348
1-[2-(3-ethoxyphenoxy)ethyl]-3-(1-phenylethyl)urea
CID 112972965
N-[3-[1-(3-phenoxypropylcarbamoylamino)ethyl]phenyl]acetamide
CID 51113600
1-[1-(3,4-dimethoxyphenyl)ethyl]-3-[3-(1,3-dioxoisoindol-2-yl)propyl]urea
CID 108889393
(2S)-2-chloro-N-[2-[[(1S)-1-(4-ethoxy-3-methoxyphenyl)ethyl]carbamoylamino]ethyl]propanamide
CID 124885687
1-[2-(4-bromophenyl)ethyl]-3-[1-(3,4-dimethoxyphenyl)ethyl]urea
CID 108902279
(2R)-2-chloro-N-[2-[[(1S)-1-(4-ethoxy-3-methoxyphenyl)ethyl]carbamoylamino]ethyl]propanamide
CID 124885683
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(1-phenylethyl)oxamide
CID 108507825
1-ethyl-3-[(1R)-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]urea
CID 94192184
1-[1-(3,4-dimethoxyphenyl)ethyl]-3-[(2,3,6-trimethylphenoxy)methyl]urea
CID 108880163

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-phenoxyethyl)urea?
The IUPAC name of 1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-phenoxyethyl)urea (CID 108886994) is 1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-phenoxyethyl)urea.
What is the SMILES notation for 1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-phenoxyethyl)urea?
The canonical SMILES for 1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-phenoxyethyl)urea is COc1ccc(C(C)NC(=O)NCCOc2ccccc2)cc1OC.
What is the InChIKey of 1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-phenoxyethyl)urea?
The InChIKey is HKLRSWHEYQIJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-14(15-9-10-17(23-2)18(13-15)24-3)21-19(22)20-11-12-25-16-7-5-4-6-8-16/h4-10,13-14H,11-12H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-phenoxyethyl)urea?
1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-phenoxyethyl)urea has a molecular weight of 344.41 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-phenoxyethyl)urea is sourced from PubChem (CID 108886994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).