1-(3-aminophenyl)-3-(2-methyl-6-propan-2-ylphenyl)urea

C17H21N3O — CID 28549722

IUPAC1-(3-aminophenyl)-3-(2-methyl-6-propan-2-ylphenyl)urea
SMILESCc1cccc(C(C)C)c1NC(=O)Nc1cccc(N)c1
InChIInChI=1S/C17H21N3O/c1-11(2)15-9-4-6-12(3)16(15)20-17(21)19-14-8-5-7-13(18)10-14/h4-11H,18H2,1-3H3,(H2,19,20,21)
InChIKeyNJWIIROUDYYMAF-UHFFFAOYSA-N
MW283.38 g/mol
LogP4.34
Rot. Bonds3

About 1-(3-aminophenyl)-3-(2-methyl-6-propan-2-ylphenyl)urea

1-(3-aminophenyl)-3-(2-methyl-6-propan-2-ylphenyl)urea (PubChem CID 28549722) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-(3-aminophenyl)-3-(2-methyl-6-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-(3-aminophenyl)-3-(2-methyl-6-propan-2-ylphenyl)urea
PubChem CID28549722
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-(3-aminophenyl)-3-(2-methyl-6-propan-2-ylphenyl)urea
SMILESCc1cccc(C(C)C)c1NC(=O)Nc1cccc(N)c1
InChIInChI=1S/C17H21N3O/c1-11(2)15-9-4-6-12(3)16(15)20-17(21)19-14-8-5-7-13(18)10-14/h4-11H,18H2,1-3H3,(H2,19,20,21)
InChIKeyNJWIIROUDYYMAF-UHFFFAOYSA-N
XLogP4.34
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromophenyl)-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 108870095
1-[4-(dimethylamino)phenyl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 108894700
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
N-(3-acetamidophenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108954586
1-(2-methyl-6-propan-2-ylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea
CID 108991715
1-[(2S)-3-methylbutan-2-yl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 51944614
1-(2-methyl-6-propan-2-ylphenyl)-3-prop-1-en-2-ylurea
CID 108910145
1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 108873909
1-butan-2-yl-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 45366518
1-(2-methyl-6-propan-2-ylphenyl)-3-pentan-3-ylurea
CID 47195278
1-(2-methyl-6-propan-2-ylphenyl)-3-pyridin-2-ylurea
CID 110491803

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-3-(2-methyl-6-propan-2-ylphenyl)urea?
The IUPAC name of 1-(3-aminophenyl)-3-(2-methyl-6-propan-2-ylphenyl)urea (CID 28549722) is 1-(3-aminophenyl)-3-(2-methyl-6-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-(3-aminophenyl)-3-(2-methyl-6-propan-2-ylphenyl)urea?
The canonical SMILES for 1-(3-aminophenyl)-3-(2-methyl-6-propan-2-ylphenyl)urea is Cc1cccc(C(C)C)c1NC(=O)Nc1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenyl)-3-(2-methyl-6-propan-2-ylphenyl)urea?
The InChIKey is NJWIIROUDYYMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-11(2)15-9-4-6-12(3)16(15)20-17(21)19-14-8-5-7-13(18)10-14/h4-11H,18H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-(3-aminophenyl)-3-(2-methyl-6-propan-2-ylphenyl)urea?
1-(3-aminophenyl)-3-(2-methyl-6-propan-2-ylphenyl)urea has a molecular weight of 283.38 g/mol, XLogP of 4.34, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-3-(2-methyl-6-propan-2-ylphenyl)urea is sourced from PubChem (CID 28549722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).