1-[4-[benzyl(ethyl)amino]phenyl]-3-phenylurea

C22H23N3O — CID 112982864

IUPAC1-[4-[benzyl(ethyl)amino]phenyl]-3-phenylurea
SMILESCCN(Cc1ccccc1)c1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H23N3O/c1-2-25(17-18-9-5-3-6-10-18)21-15-13-20(14-16-21)24-22(26)23-19-11-7-4-8-12-19/h3-16H,2,17H2,1H3,(H2,23,24,26)
InChIKeyFMNCUOJRLIRDLN-UHFFFAOYSA-N
MW345.45 g/mol
LogP5.36
Rot. Bonds6

About 1-[4-[benzyl(ethyl)amino]phenyl]-3-phenylurea

1-[4-[benzyl(ethyl)amino]phenyl]-3-phenylurea (PubChem CID 112982864) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 1-[4-[benzyl(ethyl)amino]phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-[benzyl(ethyl)amino]phenyl]-3-phenylurea
PubChem CID112982864
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name1-[4-[benzyl(ethyl)amino]phenyl]-3-phenylurea
SMILESCCN(Cc1ccccc1)c1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H23N3O/c1-2-25(17-18-9-5-3-6-10-18)21-15-13-20(14-16-21)24-22(26)23-19-11-7-4-8-12-19/h3-16H,2,17H2,1H3,(H2,23,24,26)
InChIKeyFMNCUOJRLIRDLN-UHFFFAOYSA-N
XLogP5.36
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.45
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

methyl N-[4-[benzyl(ethyl)amino]phenyl]carbamate
CID 112982866
N-[4-[benzyl(ethyl)amino]phenyl]-4-methoxybenzamide
CID 112982849
N-[4-[benzyl(ethyl)amino]phenyl]-2-(3-fluorophenyl)acetamide
CID 112982863
2-[benzyl(methyl)amino]-N-[4-(diethylamino)phenyl]acetamide
CID 27133835
5-[benzyl(ethyl)amino]-N-phenylpyridine-3-carboxamide
CID 109234844
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-4-(phenylcarbamoylamino)benzamide
CID 55437961
5-[benzyl(ethyl)amino]-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109190822
1-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)phenyl]urea
CID 23366297
1-[4-(diethylamino)phenyl]-3-(3-methylphenyl)urea
CID 71323967
1-[4-[benzyl(ethyl)amino]phenyl]-2-methylpropan-1-one
CID 39381681
1-[4-(diethylamino)-2-methylphenyl]-3-phenylurea
CID 46859691
N-[5-[[4-[benzyl(ethyl)amino]phenyl]methylamino]-2-methylphenyl]acetamide
CID 78895302

Frequently Asked Questions

What is the IUPAC name of 1-[4-[benzyl(ethyl)amino]phenyl]-3-phenylurea?
The IUPAC name of 1-[4-[benzyl(ethyl)amino]phenyl]-3-phenylurea (CID 112982864) is 1-[4-[benzyl(ethyl)amino]phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-[benzyl(ethyl)amino]phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-[benzyl(ethyl)amino]phenyl]-3-phenylurea is CCN(Cc1ccccc1)c1ccc(NC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 1-[4-[benzyl(ethyl)amino]phenyl]-3-phenylurea?
The InChIKey is FMNCUOJRLIRDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-2-25(17-18-9-5-3-6-10-18)21-15-13-20(14-16-21)24-22(26)23-19-11-7-4-8-12-19/h3-16H,2,17H2,1H3,(H2,23,24,26).
What are the key properties of 1-[4-[benzyl(ethyl)amino]phenyl]-3-phenylurea?
1-[4-[benzyl(ethyl)amino]phenyl]-3-phenylurea has a molecular weight of 345.45 g/mol, XLogP of 5.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[benzyl(ethyl)amino]phenyl]-3-phenylurea is sourced from PubChem (CID 112982864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).