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

C20H26N2O4 — CID 113216461

IUPAC1-[2-(4-methoxyphenoxy)ethyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea
SMILESCOc1ccc(OCCNC(=O)NC(C)(C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H26N2O4/c1-20(2,15-5-7-16(24-3)8-6-15)22-19(23)21-13-14-26-18-11-9-17(25-4)10-12-18/h5-12H,13-14H2,1-4H3,(H2,21,22,23)
InChIKeyOCBDBQTUSWRRFA-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.32
Rot. Bonds8

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

1-[2-(4-methoxyphenoxy)ethyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea (PubChem CID 113216461) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenoxy)ethyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-[2-(4-methoxyphenoxy)ethyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea
PubChem CID113216461
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name1-[2-(4-methoxyphenoxy)ethyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea
SMILESCOc1ccc(OCCNC(=O)NC(C)(C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H26N2O4/c1-20(2,15-5-7-16(24-3)8-6-15)22-19(23)21-13-14-26-18-11-9-17(25-4)10-12-18/h5-12H,13-14H2,1-4H3,(H2,21,22,23)
InChIKeyOCBDBQTUSWRRFA-UHFFFAOYSA-N
XLogP3.32
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.32
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-(dimethylamino)ethyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea
CID 113216404
N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanamide
CID 94421928
N'-(1-hydroxy-2-methylpropan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide
CID 108531227
1-[(4-chlorophenyl)methyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea
CID 113216421
N'-(4-tert-butylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide
CID 108529800
1-[2-(4-methoxyphenyl)propan-2-yl]-3-[(2-methylphenyl)methyl]urea
CID 113216413
4-[2-(4-methoxyphenoxy)ethylcarbamoylamino]butanoic acid
CID 28511511
tert-butyl N-[2-[4-(4-methoxyphenyl)phenoxy]ethyl]carbamate
CID 139950407
1-[(2-fluorophenyl)methyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea
CID 113216418
1-[3-(dimethylamino)propyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108988343
1-[(E)-but-1-enyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108910756
1-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)urea
CID 51244378

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea?
The IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea (CID 113216461) is 1-[2-(4-methoxyphenoxy)ethyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea.
What is the SMILES notation for 1-[2-(4-methoxyphenoxy)ethyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea?
The canonical SMILES for 1-[2-(4-methoxyphenoxy)ethyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea is COc1ccc(OCCNC(=O)NC(C)(C)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenoxy)ethyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea?
The InChIKey is OCBDBQTUSWRRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-20(2,15-5-7-16(24-3)8-6-15)22-19(23)21-13-14-26-18-11-9-17(25-4)10-12-18/h5-12H,13-14H2,1-4H3,(H2,21,22,23).
What are the key properties of 1-[2-(4-methoxyphenoxy)ethyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea?
1-[2-(4-methoxyphenoxy)ethyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea has a molecular weight of 358.44 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenoxy)ethyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea is sourced from PubChem (CID 113216461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).