1-[4-(diethylamino)-2-methylphenyl]-3-phenylurea

C18H23N3O — CID 46859691

IUPAC1-[4-(diethylamino)-2-methylphenyl]-3-phenylurea
SMILESCCN(CC)c1ccc(NC(=O)Nc2ccccc2)c(C)c1
InChIInChI=1S/C18H23N3O/c1-4-21(5-2)16-11-12-17(14(3)13-16)20-18(22)19-15-9-7-6-8-10-15/h6-13H,4-5H2,1-3H3,(H2,19,20,22)
InChIKeyPXAJLXWRAZUKMO-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.49
Rot. Bonds5

About 1-[4-(diethylamino)-2-methylphenyl]-3-phenylurea

1-[4-(diethylamino)-2-methylphenyl]-3-phenylurea (PubChem CID 46859691) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[4-(diethylamino)-2-methylphenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-(diethylamino)-2-methylphenyl]-3-phenylurea
PubChem CID46859691
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name1-[4-(diethylamino)-2-methylphenyl]-3-phenylurea
SMILESCCN(CC)c1ccc(NC(=O)Nc2ccccc2)c(C)c1
InChIInChI=1S/C18H23N3O/c1-4-21(5-2)16-11-12-17(14(3)13-16)20-18(22)19-15-9-7-6-8-10-15/h6-13H,4-5H2,1-3H3,(H2,19,20,22)
InChIKeyPXAJLXWRAZUKMO-UHFFFAOYSA-N
XLogP4.49
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.49
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

N-[3-[[4-(diethylamino)-2-methylphenyl]carbamoylamino]phenyl]acetamide
CID 108884218
N-[3-[[4-(diethylamino)-2-methylphenyl]carbamoylamino]phenyl]acetamide chloride
CID 108884217
1-[4-(diethylamino)-2-methylphenyl]-3-(3-fluorophenyl)urea
CID 108894002
1-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylphenyl]urea chloride
CID 108868696
1-[4-(diethylamino)-2-methylphenyl]-3-(2-iodophenyl)urea
CID 108869059
1-(3,4-dichlorophenyl)-3-[4-(diethylamino)-2-methylphenyl]urea
CID 108866430
1-benzyl-3-[4-(diethylamino)-2-methylphenyl]urea chloride
CID 108871335
N-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-phenyloxamide
CID 108518693
1-[4-(diethylamino)-2-methylphenyl]-3-(3,4,5-triethoxyphenyl)urea
CID 108869898
N-[4-(diethylamino)-2-methylphenyl]-N'-(2-ethylphenyl)propanediamide
CID 108953999
1-[4-(diethylamino)-2-methylphenyl]-3-(2,3-dimethylquinoxalin-6-yl)urea chloride
CID 108885688
1-[(2-bromophenyl)methyl]-3-[4-(diethylamino)-2-methylphenyl]urea
CID 108898002

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)-2-methylphenyl]-3-phenylurea?
The IUPAC name of 1-[4-(diethylamino)-2-methylphenyl]-3-phenylurea (CID 46859691) is 1-[4-(diethylamino)-2-methylphenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-(diethylamino)-2-methylphenyl]-3-phenylurea?
The canonical SMILES for 1-[4-(diethylamino)-2-methylphenyl]-3-phenylurea is CCN(CC)c1ccc(NC(=O)Nc2ccccc2)c(C)c1.
What is the InChIKey of 1-[4-(diethylamino)-2-methylphenyl]-3-phenylurea?
The InChIKey is PXAJLXWRAZUKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-4-21(5-2)16-11-12-17(14(3)13-16)20-18(22)19-15-9-7-6-8-10-15/h6-13H,4-5H2,1-3H3,(H2,19,20,22).
What are the key properties of 1-[4-(diethylamino)-2-methylphenyl]-3-phenylurea?
1-[4-(diethylamino)-2-methylphenyl]-3-phenylurea has a molecular weight of 297.40 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)-2-methylphenyl]-3-phenylurea is sourced from PubChem (CID 46859691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).