3-(4-aminophenyl)-1-[(4-methoxyphenyl)methyl]-1-methylurea

C16H19N3O2 — CID 61418141

IUPAC3-(4-aminophenyl)-1-[(4-methoxyphenyl)methyl]-1-methylurea
SMILESCOc1ccc(CN(C)C(=O)Nc2ccc(N)cc2)cc1
InChIInChI=1S/C16H19N3O2/c1-19(11-12-3-9-15(21-2)10-4-12)16(20)18-14-7-5-13(17)6-8-14/h3-10H,11,17H2,1-2H3,(H,18,20)
InChIKeyLEVZOICWQKJYPS-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.94
Rot. Bonds4

About 3-(4-aminophenyl)-1-[(4-methoxyphenyl)methyl]-1-methylurea

3-(4-aminophenyl)-1-[(4-methoxyphenyl)methyl]-1-methylurea (PubChem CID 61418141) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-(4-aminophenyl)-1-[(4-methoxyphenyl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-(4-aminophenyl)-1-[(4-methoxyphenyl)methyl]-1-methylurea
PubChem CID61418141
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-(4-aminophenyl)-1-[(4-methoxyphenyl)methyl]-1-methylurea
SMILESCOc1ccc(CN(C)C(=O)Nc2ccc(N)cc2)cc1
InChIInChI=1S/C16H19N3O2/c1-19(11-12-3-9-15(21-2)10-4-12)16(20)18-14-7-5-13(17)6-8-14/h3-10H,11,17H2,1-2H3,(H,18,20)
InChIKeyLEVZOICWQKJYPS-UHFFFAOYSA-N
XLogP2.94
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-[(4-methoxyphenyl)methyl]-1,3-dimethylurea
CID 115575178
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(4-methoxyphenyl)-1-methylurea
CID 30937905
N-[4-fluoro-3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]phenyl]acetamide
CID 86988363
1-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-(4-methoxyphenyl)-1-methylurea
CID 54991623
3-[2-(dimethylamino)phenyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 86988400
1-[(Z)-4-aminobut-2-enyl]-3-(4-methoxyphenyl)-1-methylurea
CID 142437144
1-[(2,4-dimethylphenyl)methyl]-3-(4-methoxyphenyl)-1-methylurea
CID 46577510
1-(2-amino-3-methoxypropyl)-3-(4-methoxyphenyl)-1-methylurea
CID 63765403
1-[(2,4-difluorophenyl)methyl]-3-(4-methoxyphenyl)-1-methylurea
CID 32528960
3-(4-chlorophenyl)-1-[[4-(difluoromethoxy)phenyl]methyl]-1-methylurea
CID 27868239
2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 61417680
1-[(4-aminophenyl)methyl]-1-methyl-3-propan-2-ylurea
CID 43458218

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-1-[(4-methoxyphenyl)methyl]-1-methylurea?
The IUPAC name of 3-(4-aminophenyl)-1-[(4-methoxyphenyl)methyl]-1-methylurea (CID 61418141) is 3-(4-aminophenyl)-1-[(4-methoxyphenyl)methyl]-1-methylurea.
What is the SMILES notation for 3-(4-aminophenyl)-1-[(4-methoxyphenyl)methyl]-1-methylurea?
The canonical SMILES for 3-(4-aminophenyl)-1-[(4-methoxyphenyl)methyl]-1-methylurea is COc1ccc(CN(C)C(=O)Nc2ccc(N)cc2)cc1.
What is the InChIKey of 3-(4-aminophenyl)-1-[(4-methoxyphenyl)methyl]-1-methylurea?
The InChIKey is LEVZOICWQKJYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-19(11-12-3-9-15(21-2)10-4-12)16(20)18-14-7-5-13(17)6-8-14/h3-10H,11,17H2,1-2H3,(H,18,20).
What are the key properties of 3-(4-aminophenyl)-1-[(4-methoxyphenyl)methyl]-1-methylurea?
3-(4-aminophenyl)-1-[(4-methoxyphenyl)methyl]-1-methylurea has a molecular weight of 285.35 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-1-[(4-methoxyphenyl)methyl]-1-methylurea is sourced from PubChem (CID 61418141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).