1-(4-aminophenyl)-1-phenyl-3-[(4-propylphenoxy)methyl]urea

C23H25N3O2 — CID 108879522

IUPAC1-(4-aminophenyl)-1-phenyl-3-[(4-propylphenoxy)methyl]urea
SMILESCCCc1ccc(OCNC(=O)N(c2ccccc2)c2ccc(N)cc2)cc1
InChIInChI=1S/C23H25N3O2/c1-2-6-18-9-15-22(16-10-18)28-17-25-23(27)26(20-7-4-3-5-8-20)21-13-11-19(24)12-14-21/h3-5,7-16H,2,6,17,24H2,1H3,(H,25,27)
InChIKeyQQSVLNFJZRAKBB-UHFFFAOYSA-N
MW375.47 g/mol
LogP5.11
Rot. Bonds7

About 1-(4-aminophenyl)-1-phenyl-3-[(4-propylphenoxy)methyl]urea

1-(4-aminophenyl)-1-phenyl-3-[(4-propylphenoxy)methyl]urea (PubChem CID 108879522) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-(4-aminophenyl)-1-phenyl-3-[(4-propylphenoxy)methyl]urea.

Molecular Properties

Compound Name1-(4-aminophenyl)-1-phenyl-3-[(4-propylphenoxy)methyl]urea
PubChem CID108879522
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name1-(4-aminophenyl)-1-phenyl-3-[(4-propylphenoxy)methyl]urea
SMILESCCCc1ccc(OCNC(=O)N(c2ccccc2)c2ccc(N)cc2)cc1
InChIInChI=1S/C23H25N3O2/c1-2-6-18-9-15-22(16-10-18)28-17-25-23(27)26(20-7-4-3-5-8-20)21-13-11-19(24)12-14-21/h3-5,7-16H,2,6,17,24H2,1H3,(H,25,27)
InChIKeyQQSVLNFJZRAKBB-UHFFFAOYSA-N
XLogP5.11
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminophenyl)-3-(2-methoxyethoxymethyl)-1-phenylurea
CID 108894429
1-butyl-1-methyl-3-[(4-propylphenoxy)methyl]urea
CID 108879554
1-(4-aminophenyl)-3-[(2,4-dimethylphenoxy)methyl]-1-phenylurea
CID 108870728
2-amino-N-[(4-propylphenoxy)methylcarbamoyl]benzamide
CID 108879563
1-tert-butyl-1-ethyl-3-[(4-propylphenoxy)methyl]urea
CID 108879595
1-(4-aminophenyl)-3-pentan-3-yl-1-phenylurea
CID 108888323
1-benzyl-3-(phenoxymethyl)-1-phenylurea
CID 108888948
2-(4-aminophenoxy)-N-(4-propylphenyl)acetamide
CID 61027141
1-prop-2-enyl-3-[(4-propylphenoxy)methyl]urea
CID 108879533
4-[3-(4-propylphenoxy)propoxy]aniline
CID 62548380
butyl 2-[(4-propylphenoxy)methylcarbamoylamino]benzoate
CID 108879441
1-(2-amino-4-methylphenyl)-3-[(4-propylphenoxy)methyl]urea
CID 108879647

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-1-phenyl-3-[(4-propylphenoxy)methyl]urea?
The IUPAC name of 1-(4-aminophenyl)-1-phenyl-3-[(4-propylphenoxy)methyl]urea (CID 108879522) is 1-(4-aminophenyl)-1-phenyl-3-[(4-propylphenoxy)methyl]urea.
What is the SMILES notation for 1-(4-aminophenyl)-1-phenyl-3-[(4-propylphenoxy)methyl]urea?
The canonical SMILES for 1-(4-aminophenyl)-1-phenyl-3-[(4-propylphenoxy)methyl]urea is CCCc1ccc(OCNC(=O)N(c2ccccc2)c2ccc(N)cc2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-1-phenyl-3-[(4-propylphenoxy)methyl]urea?
The InChIKey is QQSVLNFJZRAKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-2-6-18-9-15-22(16-10-18)28-17-25-23(27)26(20-7-4-3-5-8-20)21-13-11-19(24)12-14-21/h3-5,7-16H,2,6,17,24H2,1H3,(H,25,27).
What are the key properties of 1-(4-aminophenyl)-1-phenyl-3-[(4-propylphenoxy)methyl]urea?
1-(4-aminophenyl)-1-phenyl-3-[(4-propylphenoxy)methyl]urea has a molecular weight of 375.47 g/mol, XLogP of 5.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-1-phenyl-3-[(4-propylphenoxy)methyl]urea is sourced from PubChem (CID 108879522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).