3-[4-(4-chlorophenoxy)butyl]-1-methyl-1-[(4-methylphenyl)methyl]urea

C20H25ClN2O2 — CID 24612678

IUPAC3-[4-(4-chlorophenoxy)butyl]-1-methyl-1-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CN(C)C(=O)NCCCCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H25ClN2O2/c1-16-5-7-17(8-6-16)15-23(2)20(24)22-13-3-4-14-25-19-11-9-18(21)10-12-19/h5-12H,3-4,13-15H2,1-2H3,(H,22,24)
InChIKeyCFHJBGDJABVUDE-UHFFFAOYSA-N
MW360.89 g/mol
LogP4.65
Rot. Bonds8

About 3-[4-(4-chlorophenoxy)butyl]-1-methyl-1-[(4-methylphenyl)methyl]urea

3-[4-(4-chlorophenoxy)butyl]-1-methyl-1-[(4-methylphenyl)methyl]urea (PubChem CID 24612678) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 3-[4-(4-chlorophenoxy)butyl]-1-methyl-1-[(4-methylphenyl)methyl]urea.

Molecular Properties

Compound Name3-[4-(4-chlorophenoxy)butyl]-1-methyl-1-[(4-methylphenyl)methyl]urea
PubChem CID24612678
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC Name3-[4-(4-chlorophenoxy)butyl]-1-methyl-1-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CN(C)C(=O)NCCCCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H25ClN2O2/c1-16-5-7-17(8-6-16)15-23(2)20(24)22-13-3-4-14-25-19-11-9-18(21)10-12-19/h5-12H,3-4,13-15H2,1-2H3,(H,22,24)
InChIKeyCFHJBGDJABVUDE-UHFFFAOYSA-N
XLogP4.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-[4-(4-fluorophenoxy)butyl]-1-methylurea
CID 33402548
1-benzyl-3-[4-(4-fluorophenoxy)butyl]-1-methylurea
CID 33403769
1,3-bis[4-(4-methylphenoxy)butyl]urea
CID 47093546
(2S)-2-[4-(4-chlorophenoxy)butanoyl-[(4-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100561518
1-benzyl-3-[3-(4-methylphenoxy)propyl]-1-propan-2-ylurea
CID 108881235
1-benzyl-1-methyl-3-[2-(4-propan-2-ylphenoxy)ethyl]urea
CID 112972527
1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]-1-methylurea
CID 51274165
N-[4-(4-chlorophenoxy)butyl]-4-(dimethylamino)benzamide
CID 24552497
N-[1-(butylamino)-1-oxo-3-phenylpropan-2-yl]-N-[(4-chlorophenyl)methyl]-4-(4-methylphenoxy)butanamide
CID 133231457
N-[(2R)-1-(butylamino)-1-oxo-3-phenylpropan-2-yl]-4-(4-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 100603764
4-(4-tert-butylphenoxy)-N-[(4-chlorophenyl)methyl]-N-methylbutanamide
CID 167786860
3-(3-butoxypropyl)-1-[(3-chlorophenyl)methyl]-1-methylurea
CID 86999313

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenoxy)butyl]-1-methyl-1-[(4-methylphenyl)methyl]urea?
The IUPAC name of 3-[4-(4-chlorophenoxy)butyl]-1-methyl-1-[(4-methylphenyl)methyl]urea (CID 24612678) is 3-[4-(4-chlorophenoxy)butyl]-1-methyl-1-[(4-methylphenyl)methyl]urea.
What is the SMILES notation for 3-[4-(4-chlorophenoxy)butyl]-1-methyl-1-[(4-methylphenyl)methyl]urea?
The canonical SMILES for 3-[4-(4-chlorophenoxy)butyl]-1-methyl-1-[(4-methylphenyl)methyl]urea is Cc1ccc(CN(C)C(=O)NCCCCOc2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-[4-(4-chlorophenoxy)butyl]-1-methyl-1-[(4-methylphenyl)methyl]urea?
The InChIKey is CFHJBGDJABVUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O2/c1-16-5-7-17(8-6-16)15-23(2)20(24)22-13-3-4-14-25-19-11-9-18(21)10-12-19/h5-12H,3-4,13-15H2,1-2H3,(H,22,24).
What are the key properties of 3-[4-(4-chlorophenoxy)butyl]-1-methyl-1-[(4-methylphenyl)methyl]urea?
3-[4-(4-chlorophenoxy)butyl]-1-methyl-1-[(4-methylphenyl)methyl]urea has a molecular weight of 360.89 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenoxy)butyl]-1-methyl-1-[(4-methylphenyl)methyl]urea is sourced from PubChem (CID 24612678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).