1-[4-(2-methoxyethoxy)-2-methylphenyl]-3-(4-methoxyphenyl)urea

C18H22N2O4 — CID 51088888

IUPAC1-[4-(2-methoxyethoxy)-2-methylphenyl]-3-(4-methoxyphenyl)urea
SMILESCOCCOc1ccc(NC(=O)Nc2ccc(OC)cc2)c(C)c1
InChIInChI=1S/C18H22N2O4/c1-13-12-16(24-11-10-22-2)8-9-17(13)20-18(21)19-14-4-6-15(23-3)7-5-14/h4-9,12H,10-11H2,1-3H3,(H2,19,20,21)
InChIKeyKMYLYZQMQVDLJV-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.67
Rot. Bonds7

About 1-[4-(2-methoxyethoxy)-2-methylphenyl]-3-(4-methoxyphenyl)urea

1-[4-(2-methoxyethoxy)-2-methylphenyl]-3-(4-methoxyphenyl)urea (PubChem CID 51088888) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 1-[4-(2-methoxyethoxy)-2-methylphenyl]-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[4-(2-methoxyethoxy)-2-methylphenyl]-3-(4-methoxyphenyl)urea
PubChem CID51088888
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name1-[4-(2-methoxyethoxy)-2-methylphenyl]-3-(4-methoxyphenyl)urea
SMILESCOCCOc1ccc(NC(=O)Nc2ccc(OC)cc2)c(C)c1
InChIInChI=1S/C18H22N2O4/c1-13-12-16(24-11-10-22-2)8-9-17(13)20-18(21)19-14-4-6-15(23-3)7-5-14/h4-9,12H,10-11H2,1-3H3,(H2,19,20,21)
InChIKeyKMYLYZQMQVDLJV-UHFFFAOYSA-N
XLogP3.67
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.67
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-(4-acetylphenyl)-3-(4-methoxy-2-methylphenyl)urea
CID 2954642
1,3-bis(4-methoxyphenyl)urea
CID 139045428
1-(4-methoxy-2-methylphenyl)-3-(3-methylphenyl)urea
CID 46860185
1-(5-fluoro-2-methylphenyl)-3-(4-methoxyphenyl)urea
CID 970666
1-(5-bromo-2-methylphenyl)-3-(4-methoxyphenyl)urea
CID 43806631
1-amino-3-(4-methoxy-2-methylphenyl)urea
CID 62872642
4-amino-N-[4-(2-methoxyethoxy)-2-methylphenyl]pentanamide;hydrochloride
CID 120560339
5-amino-N-[4-(2-methoxyethoxy)-2-methylphenyl]-2-methylbenzamide;hydrochloride
CID 120622397
N-[4-(2-methoxyethoxy)-2-methylphenyl]piperidine-4-carboxamide;hydrochloride
CID 119289436
(2-methyl-4-propoxyphenyl)carbamic acid
CID 118108315
2-methoxy-N-(4-methoxy-2-methylphenyl)acetamide
CID 62948733
1-(2,3-dimethylphenyl)-3-(4-methoxy-2-methylphenyl)urea
CID 46860194

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyethoxy)-2-methylphenyl]-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-[4-(2-methoxyethoxy)-2-methylphenyl]-3-(4-methoxyphenyl)urea (CID 51088888) is 1-[4-(2-methoxyethoxy)-2-methylphenyl]-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-[4-(2-methoxyethoxy)-2-methylphenyl]-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-[4-(2-methoxyethoxy)-2-methylphenyl]-3-(4-methoxyphenyl)urea is COCCOc1ccc(NC(=O)Nc2ccc(OC)cc2)c(C)c1.
What is the InChIKey of 1-[4-(2-methoxyethoxy)-2-methylphenyl]-3-(4-methoxyphenyl)urea?
The InChIKey is KMYLYZQMQVDLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-13-12-16(24-11-10-22-2)8-9-17(13)20-18(21)19-14-4-6-15(23-3)7-5-14/h4-9,12H,10-11H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-[4-(2-methoxyethoxy)-2-methylphenyl]-3-(4-methoxyphenyl)urea?
1-[4-(2-methoxyethoxy)-2-methylphenyl]-3-(4-methoxyphenyl)urea has a molecular weight of 330.38 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyethoxy)-2-methylphenyl]-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 51088888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).