3-[2-(dimethylamino)phenyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea

C18H23N3O2 — CID 86988400

IUPAC3-[2-(dimethylamino)phenyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
SMILESCOc1ccc(CN(C)C(=O)Nc2ccccc2N(C)C)cc1
InChIInChI=1S/C18H23N3O2/c1-20(2)17-8-6-5-7-16(17)19-18(22)21(3)13-14-9-11-15(23-4)12-10-14/h5-12H,13H2,1-4H3,(H,19,22)
InChIKeyNJUWQRMHBMKXEH-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.43
Rot. Bonds5

About 3-[2-(dimethylamino)phenyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea

3-[2-(dimethylamino)phenyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea (PubChem CID 86988400) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-[2-(dimethylamino)phenyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-[2-(dimethylamino)phenyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
PubChem CID86988400
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name3-[2-(dimethylamino)phenyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
SMILESCOc1ccc(CN(C)C(=O)Nc2ccccc2N(C)C)cc1
InChIInChI=1S/C18H23N3O2/c1-20(2)17-8-6-5-7-16(17)19-18(22)21(3)13-14-9-11-15(23-4)12-10-14/h5-12H,13H2,1-4H3,(H,19,22)
InChIKeyNJUWQRMHBMKXEH-UHFFFAOYSA-N
XLogP3.43
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methoxyphenyl)methyl]-1-methyl-3-(2-nitrophenyl)urea
CID 17408467
1-[(4-methoxyphenyl)methyl]-1,3-dimethylurea
CID 115575178
3-(2-methoxyphenyl)-1-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]urea
CID 55570707
1-[(4-bromophenyl)methyl]-3-(2-methoxyphenyl)-1-methylurea
CID 31770982
3-(4-aminophenyl)-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 61418141
N-[4-fluoro-3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]phenyl]acetamide
CID 86988363
1-benzyl-3-(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]urea
CID 47053425
N-[2-[acetyl(methyl)amino]phenyl]-2-(4-methoxyphenyl)acetamide
CID 113093771
3-chloro-N-[(4-methoxyphenyl)methyl-methylcarbamoyl]propanamide
CID 61418008
3-(1-ethyl-1,2,4-triazol-3-yl)-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 46988695
3-(5-benzyl-1H-1,2,4-triazol-3-yl)-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 46997417
N-(2-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761356

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)phenyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea?
The IUPAC name of 3-[2-(dimethylamino)phenyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea (CID 86988400) is 3-[2-(dimethylamino)phenyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea.
What is the SMILES notation for 3-[2-(dimethylamino)phenyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea?
The canonical SMILES for 3-[2-(dimethylamino)phenyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea is COc1ccc(CN(C)C(=O)Nc2ccccc2N(C)C)cc1.
What is the InChIKey of 3-[2-(dimethylamino)phenyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea?
The InChIKey is NJUWQRMHBMKXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-20(2)17-8-6-5-7-16(17)19-18(22)21(3)13-14-9-11-15(23-4)12-10-14/h5-12H,13H2,1-4H3,(H,19,22).
What are the key properties of 3-[2-(dimethylamino)phenyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea?
3-[2-(dimethylamino)phenyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea has a molecular weight of 313.40 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)phenyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea is sourced from PubChem (CID 86988400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).