1-[4-(dimethylamino)phenyl]-3-(2-methyl-6-propan-2-ylphenyl)urea

C19H25N3O — CID 108894700

IUPAC1-[4-(dimethylamino)phenyl]-3-(2-methyl-6-propan-2-ylphenyl)urea
SMILESCc1cccc(C(C)C)c1NC(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C19H25N3O/c1-13(2)17-8-6-7-14(3)18(17)21-19(23)20-15-9-11-16(12-10-15)22(4)5/h6-13H,1-5H3,(H2,20,21,23)
InChIKeyBVDAWJSQKABBAD-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.83
Rot. Bonds4

About 1-[4-(dimethylamino)phenyl]-3-(2-methyl-6-propan-2-ylphenyl)urea

1-[4-(dimethylamino)phenyl]-3-(2-methyl-6-propan-2-ylphenyl)urea (PubChem CID 108894700) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-3-(2-methyl-6-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-3-(2-methyl-6-propan-2-ylphenyl)urea
PubChem CID108894700
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name1-[4-(dimethylamino)phenyl]-3-(2-methyl-6-propan-2-ylphenyl)urea
SMILESCc1cccc(C(C)C)c1NC(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C19H25N3O/c1-13(2)17-8-6-7-14(3)18(17)21-19(23)20-15-9-11-16(12-10-15)22(4)5/h6-13H,1-5H3,(H2,20,21,23)
InChIKeyBVDAWJSQKABBAD-UHFFFAOYSA-N
XLogP4.83
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.83
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

1-(2-methyl-6-propan-2-ylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea
CID 108991715
1-(3-bromophenyl)-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 108870095
1-(3-aminophenyl)-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 28549722
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
1-(4-chlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]urea
CID 4195925
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
1-[(2S)-3-methylbutan-2-yl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 51944614
2-chloro-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 3859248
1-(2-methyl-6-propan-2-ylphenyl)-3-prop-1-en-2-ylurea
CID 108910145
1-(2-methyl-6-propan-2-ylphenyl)-3-pentan-3-ylurea
CID 47195278
1-butan-2-yl-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 45366518
1-[4-(dimethylamino)phenyl]-3-(3,4-dimethylphenyl)urea
CID 5096263

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-3-(2-methyl-6-propan-2-ylphenyl)urea?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-3-(2-methyl-6-propan-2-ylphenyl)urea (CID 108894700) is 1-[4-(dimethylamino)phenyl]-3-(2-methyl-6-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-3-(2-methyl-6-propan-2-ylphenyl)urea?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-3-(2-methyl-6-propan-2-ylphenyl)urea is Cc1cccc(C(C)C)c1NC(=O)Nc1ccc(N(C)C)cc1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-3-(2-methyl-6-propan-2-ylphenyl)urea?
The InChIKey is BVDAWJSQKABBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-13(2)17-8-6-7-14(3)18(17)21-19(23)20-15-9-11-16(12-10-15)22(4)5/h6-13H,1-5H3,(H2,20,21,23).
What are the key properties of 1-[4-(dimethylamino)phenyl]-3-(2-methyl-6-propan-2-ylphenyl)urea?
1-[4-(dimethylamino)phenyl]-3-(2-methyl-6-propan-2-ylphenyl)urea has a molecular weight of 311.43 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-3-(2-methyl-6-propan-2-ylphenyl)urea is sourced from PubChem (CID 108894700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).