3-[3-[4-(dimethylamino)phenyl]phenyl]-1,1-dimethylurea

C17H21N3O — CID 71699712

IUPAC3-[3-[4-(dimethylamino)phenyl]phenyl]-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1cccc(-c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C17H21N3O/c1-19(2)16-10-8-13(9-11-16)14-6-5-7-15(12-14)18-17(21)20(3)4/h5-12H,1-4H3,(H,18,21)
InChIKeyAWOPBSAJHCUSAS-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.51
Rot. Bonds3

About 3-[3-[4-(dimethylamino)phenyl]phenyl]-1,1-dimethylurea

3-[3-[4-(dimethylamino)phenyl]phenyl]-1,1-dimethylurea (PubChem CID 71699712) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-[3-[4-(dimethylamino)phenyl]phenyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[3-[4-(dimethylamino)phenyl]phenyl]-1,1-dimethylurea
PubChem CID71699712
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name3-[3-[4-(dimethylamino)phenyl]phenyl]-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1cccc(-c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C17H21N3O/c1-19(2)16-10-8-13(9-11-16)14-6-5-7-15(12-14)18-17(21)20(3)4/h5-12H,1-4H3,(H,18,21)
InChIKeyAWOPBSAJHCUSAS-UHFFFAOYSA-N
XLogP3.51
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(dimethylamino)phenyl]phenyl]-1,1-dimethylurea?
The IUPAC name of 3-[3-[4-(dimethylamino)phenyl]phenyl]-1,1-dimethylurea (CID 71699712) is 3-[3-[4-(dimethylamino)phenyl]phenyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[3-[4-(dimethylamino)phenyl]phenyl]-1,1-dimethylurea?
The canonical SMILES for 3-[3-[4-(dimethylamino)phenyl]phenyl]-1,1-dimethylurea is CN(C)C(=O)Nc1cccc(-c2ccc(N(C)C)cc2)c1.
What is the InChIKey of 3-[3-[4-(dimethylamino)phenyl]phenyl]-1,1-dimethylurea?
The InChIKey is AWOPBSAJHCUSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-19(2)16-10-8-13(9-11-16)14-6-5-7-15(12-14)18-17(21)20(3)4/h5-12H,1-4H3,(H,18,21).
What are the key properties of 3-[3-[4-(dimethylamino)phenyl]phenyl]-1,1-dimethylurea?
3-[3-[4-(dimethylamino)phenyl]phenyl]-1,1-dimethylurea has a molecular weight of 283.38 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(dimethylamino)phenyl]phenyl]-1,1-dimethylurea is sourced from PubChem (CID 71699712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).