1-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(2-phenoxyethyl)urea

C20H24N2O3 — CID 17435926

IUPAC1-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(2-phenoxyethyl)urea
SMILESCOc1ccc(C(NC(=O)NCCOc2ccccc2)C2CC2)cc1
InChIInChI=1S/C20H24N2O3/c1-24-17-11-9-16(10-12-17)19(15-7-8-15)22-20(23)21-13-14-25-18-5-3-2-4-6-18/h2-6,9-12,15,19H,7-8,13-14H2,1H3,(H2,21,22,23)
InChIKeySOHFZBNOVZFDBG-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.52
Rot. Bonds8

About 1-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(2-phenoxyethyl)urea

1-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(2-phenoxyethyl)urea (PubChem CID 17435926) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(2-phenoxyethyl)urea.

Molecular Properties

Compound Name1-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(2-phenoxyethyl)urea
PubChem CID17435926
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name1-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(2-phenoxyethyl)urea
SMILESCOc1ccc(C(NC(=O)NCCOc2ccccc2)C2CC2)cc1
InChIInChI=1S/C20H24N2O3/c1-24-17-11-9-16(10-12-17)19(15-7-8-15)22-20(23)21-13-14-25-18-5-3-2-4-6-18/h2-6,9-12,15,19H,7-8,13-14H2,1H3,(H2,21,22,23)
InChIKeySOHFZBNOVZFDBG-UHFFFAOYSA-N
XLogP3.52
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
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

N-[cyclopropyl-(4-methoxyphenyl)methyl]benzamide
CID 46566275
1-[cyclopropyl-(4-methoxyphenyl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 134042612
1-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea
CID 99858682
N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-(4-methylphenoxy)butanamide
CID 42925489
N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 60701170
1-[cyclopropyl(phenyl)methyl]-3-(2-phenylethyl)urea
CID 42886062
1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-phenoxyethyl)urea
CID 108886994
2-hydroxyethyl N-[cyclopropyl-(4-methoxyphenyl)methyl]carbamate
CID 79348785
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 60701189
2-(4-methoxyphenoxy)-N-(2-phenoxyethyl)acetamide
CID 2265793
N-[2-(4-methoxyphenoxy)ethyl]-2-phenoxyacetamide
CID 17468348
4-[3-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]propoxy]benzonitrile
CID 112840952

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(2-phenoxyethyl)urea?
The IUPAC name of 1-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(2-phenoxyethyl)urea (CID 17435926) is 1-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(2-phenoxyethyl)urea.
What is the SMILES notation for 1-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(2-phenoxyethyl)urea?
The canonical SMILES for 1-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(2-phenoxyethyl)urea is COc1ccc(C(NC(=O)NCCOc2ccccc2)C2CC2)cc1.
What is the InChIKey of 1-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(2-phenoxyethyl)urea?
The InChIKey is SOHFZBNOVZFDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-24-17-11-9-16(10-12-17)19(15-7-8-15)22-20(23)21-13-14-25-18-5-3-2-4-6-18/h2-6,9-12,15,19H,7-8,13-14H2,1H3,(H2,21,22,23).
What are the key properties of 1-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(2-phenoxyethyl)urea?
1-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(2-phenoxyethyl)urea has a molecular weight of 340.42 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-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(2-phenoxyethyl)urea is sourced from PubChem (CID 17435926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).