1-[2-(4-methoxyphenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea

C19H24N2O3 — CID 108990560

IUPAC1-[2-(4-methoxyphenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea
SMILESCOc1ccc(OCCNC(=O)Nc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C19H24N2O3/c1-14(2)15-4-6-16(7-5-15)21-19(22)20-12-13-24-18-10-8-17(23-3)9-11-18/h4-11,14H,12-13H2,1-3H3,(H2,20,21,22)
InChIKeyRPHIRPNVVRJTIF-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.02
Rot. Bonds7

About 1-[2-(4-methoxyphenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea

1-[2-(4-methoxyphenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea (PubChem CID 108990560) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-[2-(4-methoxyphenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea
PubChem CID108990560
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-[2-(4-methoxyphenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea
SMILESCOc1ccc(OCCNC(=O)Nc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C19H24N2O3/c1-14(2)15-4-6-16(7-5-15)21-19(22)20-12-13-24-18-10-8-17(23-3)9-11-18/h4-11,14H,12-13H2,1-3H3,(H2,20,21,22)
InChIKeyRPHIRPNVVRJTIF-UHFFFAOYSA-N
XLogP4.02
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.02
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

1-(4-methoxyphenyl)-3-[2-(4-propan-2-ylphenoxy)ethyl]urea
CID 112972614
1-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)urea
CID 51244378
1-[2-(3,4-difluorophenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea
CID 112976375
1-[4-(dimethylamino)phenyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108894850
3-[(4-methoxyphenyl)carbamoylamino]-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide
CID 46571064
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-(4-ethoxyphenyl)urea
CID 112975715
1-(4-methoxyphenyl)-3-(3-methylbutyl)urea
CID 18884814
1-(3-cyanophenyl)-3-[2-(4-propan-2-ylphenoxy)ethyl]urea
CID 112972654
1-(3-bromo-4-methylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108990571
1-[2-(4-methoxyphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 108866734
N-[3-[3-[(4-propan-2-ylphenyl)carbamoylamino]propoxy]phenyl]acetamide
CID 3810433
1-[2-(4-chlorophenoxy)ethyl]-3-(4-ethoxyphenyl)urea
CID 112970962

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea?
The IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea (CID 108990560) is 1-[2-(4-methoxyphenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-[2-(4-methoxyphenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea?
The canonical SMILES for 1-[2-(4-methoxyphenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea is COc1ccc(OCCNC(=O)Nc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea?
The InChIKey is RPHIRPNVVRJTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-14(2)15-4-6-16(7-5-15)21-19(22)20-12-13-24-18-10-8-17(23-3)9-11-18/h4-11,14H,12-13H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-[2-(4-methoxyphenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea?
1-[2-(4-methoxyphenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea has a molecular weight of 328.41 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea is sourced from PubChem (CID 108990560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).