1-[4-(dimethylamino)phenyl]-3-(2-hydroxy-2-phenylpropyl)urea

C18H23N3O2 — CID 111335559

IUPAC1-[4-(dimethylamino)phenyl]-3-(2-hydroxy-2-phenylpropyl)urea
SMILESCN(C)c1ccc(NC(=O)NCC(C)(O)c2ccccc2)cc1
InChIInChI=1S/C18H23N3O2/c1-18(23,14-7-5-4-6-8-14)13-19-17(22)20-15-9-11-16(12-10-15)21(2)3/h4-12,23H,13H2,1-3H3,(H2,19,20,22)
InChIKeyZWWUSYXPSZHXIJ-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.78
Rot. Bonds5

About 1-[4-(dimethylamino)phenyl]-3-(2-hydroxy-2-phenylpropyl)urea

1-[4-(dimethylamino)phenyl]-3-(2-hydroxy-2-phenylpropyl)urea (PubChem CID 111335559) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-3-(2-hydroxy-2-phenylpropyl)urea.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-3-(2-hydroxy-2-phenylpropyl)urea
PubChem CID111335559
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-[4-(dimethylamino)phenyl]-3-(2-hydroxy-2-phenylpropyl)urea
SMILESCN(C)c1ccc(NC(=O)NCC(C)(O)c2ccccc2)cc1
InChIInChI=1S/C18H23N3O2/c1-18(23,14-7-5-4-6-8-14)13-19-17(22)20-15-9-11-16(12-10-15)21(2)3/h4-12,23H,13H2,1-3H3,(H2,19,20,22)
InChIKeyZWWUSYXPSZHXIJ-UHFFFAOYSA-N
XLogP2.78
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxy-2-phenylpropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 121112096
1-[3-[ethyl(methyl)amino]phenyl]-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335646
1-(3,4-difluorophenyl)-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335572
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenylurea
CID 111450187
1-(4-tert-butylphenyl)-3-(2-methyl-2-phenylpropyl)urea
CID 113213276
1-(2-hydroxy-2-phenylpropyl)-3-[2-(N-methylanilino)ethyl]urea
CID 111335704
N-[4-[(2-hydroxy-2-phenylpropyl)amino]phenyl]acetamide
CID 62373656
1-(3,5-difluoro-4-methoxyphenyl)-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335624
4-[[[4-(dimethylamino)phenyl]carbamoylamino]methyl]benzoic acid
CID 108894779
1-[(2S)-2-hydroxy-2-methylbutyl]-3-phenylurea
CID 94797729
N-[2-[[4-(dimethylamino)phenyl]carbamoylamino]ethyl]acetamide
CID 47192652
3-[[4-(dimethylamino)phenyl]carbamoylamino]-2-methylpropanoic acid
CID 62670467

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-3-(2-hydroxy-2-phenylpropyl)urea?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-3-(2-hydroxy-2-phenylpropyl)urea (CID 111335559) is 1-[4-(dimethylamino)phenyl]-3-(2-hydroxy-2-phenylpropyl)urea.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-3-(2-hydroxy-2-phenylpropyl)urea?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-3-(2-hydroxy-2-phenylpropyl)urea is CN(C)c1ccc(NC(=O)NCC(C)(O)c2ccccc2)cc1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-3-(2-hydroxy-2-phenylpropyl)urea?
The InChIKey is ZWWUSYXPSZHXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-18(23,14-7-5-4-6-8-14)13-19-17(22)20-15-9-11-16(12-10-15)21(2)3/h4-12,23H,13H2,1-3H3,(H2,19,20,22).
What are the key properties of 1-[4-(dimethylamino)phenyl]-3-(2-hydroxy-2-phenylpropyl)urea?
1-[4-(dimethylamino)phenyl]-3-(2-hydroxy-2-phenylpropyl)urea has a molecular weight of 313.40 g/mol, XLogP of 2.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-3-(2-hydroxy-2-phenylpropyl)urea is sourced from PubChem (CID 111335559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).