3-(4-aminophenyl)-1-methyl-1-phenylurea

C14H15N3O — CID 43468906

IUPAC3-(4-aminophenyl)-1-methyl-1-phenylurea
SMILESCN(C(=O)Nc1ccc(N)cc1)c1ccccc1
InChIInChI=1S/C14H15N3O/c1-17(13-5-3-2-4-6-13)14(18)16-12-9-7-11(15)8-10-12/h2-10H,15H2,1H3,(H,16,18)
InChIKeyQDGCBIUEXVSIOC-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.94
Rot. Bonds2

About 3-(4-aminophenyl)-1-methyl-1-phenylurea

3-(4-aminophenyl)-1-methyl-1-phenylurea (PubChem CID 43468906) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-(4-aminophenyl)-1-methyl-1-phenylurea.

Molecular Properties

Compound Name3-(4-aminophenyl)-1-methyl-1-phenylurea
PubChem CID43468906
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name3-(4-aminophenyl)-1-methyl-1-phenylurea
SMILESCN(C(=O)Nc1ccc(N)cc1)c1ccccc1
InChIInChI=1S/C14H15N3O/c1-17(13-5-3-2-4-6-13)14(18)16-12-9-7-11(15)8-10-12/h2-10H,15H2,1H3,(H,16,18)
InChIKeyQDGCBIUEXVSIOC-UHFFFAOYSA-N
XLogP2.94
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[4-(aminomethyl)phenyl]-1-methyl-1-phenylurea
CID 43246035
3-(4-aminophenyl)-1-(3,5-dimethylphenyl)-1-methylurea
CID 62003994
3-(4-ethylphenyl)-1-methyl-1-phenylurea
CID 108991136
1-(4-aminophenyl)-3-(4-cyanophenyl)-1-methylurea
CID 28894609
4-amino-N-methyl-N-phenylbenzamide
CID 4306081
2-chloro-4-[[methyl(phenyl)carbamoyl]amino]benzoic acid
CID 61398621
3-(4-aminophenyl)-1-methyl-1-propan-2-ylurea
CID 43469006
2-methoxy-4-[[methyl(phenyl)carbamoyl]amino]benzamide
CID 91393388
1-methyl-1-phenyl-3-[4-[(3S)-pyrrolidin-3-yl]phenyl]urea
CID 124566450
4-acetamido-N-methyl-N-phenylbenzamide
CID 669468
2-[5-[[methyl(phenyl)carbamoyl]amino]-2-pyridinyl]acetic acid
CID 107340396
N-(4-aminophenyl)-N-[[4-(dimethylamino)phenyl]carbamoyl]acetamide
CID 108894693

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-1-methyl-1-phenylurea?
The IUPAC name of 3-(4-aminophenyl)-1-methyl-1-phenylurea (CID 43468906) is 3-(4-aminophenyl)-1-methyl-1-phenylurea.
What is the SMILES notation for 3-(4-aminophenyl)-1-methyl-1-phenylurea?
The canonical SMILES for 3-(4-aminophenyl)-1-methyl-1-phenylurea is CN(C(=O)Nc1ccc(N)cc1)c1ccccc1.
What is the InChIKey of 3-(4-aminophenyl)-1-methyl-1-phenylurea?
The InChIKey is QDGCBIUEXVSIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-17(13-5-3-2-4-6-13)14(18)16-12-9-7-11(15)8-10-12/h2-10H,15H2,1H3,(H,16,18).
What are the key properties of 3-(4-aminophenyl)-1-methyl-1-phenylurea?
3-(4-aminophenyl)-1-methyl-1-phenylurea has a molecular weight of 241.29 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-1-methyl-1-phenylurea is sourced from PubChem (CID 43468906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).