1-[4-[[4-[N-(dimethylcarbamoyl)anilino]phenyl]methyl]phenyl]-3,3-dimethyl-1-phenylurea

C31H32N4O2 — CID 66696852

IUPAC1-[4-[[4-[N-(dimethylcarbamoyl)anilino]phenyl]methyl]phenyl]-3,3-dimethyl-1-phenylurea
SMILESCN(C)C(=O)N(c1ccccc1)c1ccc(Cc2ccc(N(C(=O)N(C)C)c3ccccc3)cc2)cc1
InChIInChI=1S/C31H32N4O2/c1-32(2)30(36)34(26-11-7-5-8-12-26)28-19-15-24(16-20-28)23-25-17-21-29(22-18-25)35(31(37)33(3)4)27-13-9-6-10-14-27/h5-22H,23H2,1-4H3
InChIKeySRPZUTKCQXXLPY-UHFFFAOYSA-N
MW492.62 g/mol
LogP6.92
Rot. Bonds6

About 1-[4-[[4-[N-(dimethylcarbamoyl)anilino]phenyl]methyl]phenyl]-3,3-dimethyl-1-phenylurea

1-[4-[[4-[N-(dimethylcarbamoyl)anilino]phenyl]methyl]phenyl]-3,3-dimethyl-1-phenylurea (PubChem CID 66696852) has the molecular formula C31H32N4O2 and a molecular weight of 492.62 g/mol. Its IUPAC name is 1-[4-[[4-[N-(dimethylcarbamoyl)anilino]phenyl]methyl]phenyl]-3,3-dimethyl-1-phenylurea.

Molecular Properties

Compound Name1-[4-[[4-[N-(dimethylcarbamoyl)anilino]phenyl]methyl]phenyl]-3,3-dimethyl-1-phenylurea
PubChem CID66696852
Molecular FormulaC31H32N4O2
Molecular Weight492.62 g/mol
Exact Mass492.25
IUPAC Name1-[4-[[4-[N-(dimethylcarbamoyl)anilino]phenyl]methyl]phenyl]-3,3-dimethyl-1-phenylurea
SMILESCN(C)C(=O)N(c1ccccc1)c1ccc(Cc2ccc(N(C(=O)N(C)C)c3ccccc3)cc2)cc1
InChIInChI=1S/C31H32N4O2/c1-32(2)30(36)34(26-11-7-5-8-12-26)28-19-15-24(16-20-28)23-25-17-21-29(22-18-25)35(31(37)33(3)4)27-13-9-6-10-14-27/h5-22H,23H2,1-4H3
InChIKeySRPZUTKCQXXLPY-UHFFFAOYSA-N
XLogP6.92
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.62
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-dimethyl-3-(4-methylphenyl)-3-phenylurea
CID 15856392
1-ethyl-1-methyl-3,3-diphenylurea
CID 67018920
4-[[4-(N-phenylanilino)phenyl]methyl]benzoic acid
CID 175081010
1,4-dibenzylbenzene;ethane
CID 91406396
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654
N-[4-(N-acetylanilino)phenyl]-N-phenylacetamide
CID 14470893
N-(4-methylphenyl)-2-[(4-methylphenyl)methyl]-N-phenylbenzamide
CID 156791791
3-[[4-[[4-(N-(3-carboxybicyclo[2.2.1]hepta-2,5-diene-2-carbonyl)anilino)phenyl]methyl]phenyl]-phenylcarbamoyl]bicyclo[2.2.1]hepta-2,5-diene-2-carboxylic acid
CID 100931671
4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline;toluene
CID 70469901
1-(4-chlorophenyl)-3,3-diethyl-1-phenylurea
CID 86237214
1-ethyl-1-(hydroxymethyl)-3,3-diphenylurea
CID 23183847
2-chloro-N-[4-(dimethylamino)phenyl]-N-phenylacetamide
CID 70059360

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-[N-(dimethylcarbamoyl)anilino]phenyl]methyl]phenyl]-3,3-dimethyl-1-phenylurea?
The IUPAC name of 1-[4-[[4-[N-(dimethylcarbamoyl)anilino]phenyl]methyl]phenyl]-3,3-dimethyl-1-phenylurea (CID 66696852) is 1-[4-[[4-[N-(dimethylcarbamoyl)anilino]phenyl]methyl]phenyl]-3,3-dimethyl-1-phenylurea.
What is the SMILES notation for 1-[4-[[4-[N-(dimethylcarbamoyl)anilino]phenyl]methyl]phenyl]-3,3-dimethyl-1-phenylurea?
The canonical SMILES for 1-[4-[[4-[N-(dimethylcarbamoyl)anilino]phenyl]methyl]phenyl]-3,3-dimethyl-1-phenylurea is CN(C)C(=O)N(c1ccccc1)c1ccc(Cc2ccc(N(C(=O)N(C)C)c3ccccc3)cc2)cc1.
What is the InChIKey of 1-[4-[[4-[N-(dimethylcarbamoyl)anilino]phenyl]methyl]phenyl]-3,3-dimethyl-1-phenylurea?
The InChIKey is SRPZUTKCQXXLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N4O2/c1-32(2)30(36)34(26-11-7-5-8-12-26)28-19-15-24(16-20-28)23-25-17-21-29(22-18-25)35(31(37)33(3)4)27-13-9-6-10-14-27/h5-22H,23H2,1-4H3.
What are the key properties of 1-[4-[[4-[N-(dimethylcarbamoyl)anilino]phenyl]methyl]phenyl]-3,3-dimethyl-1-phenylurea?
1-[4-[[4-[N-(dimethylcarbamoyl)anilino]phenyl]methyl]phenyl]-3,3-dimethyl-1-phenylurea has a molecular weight of 492.62 g/mol, XLogP of 6.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-[N-(dimethylcarbamoyl)anilino]phenyl]methyl]phenyl]-3,3-dimethyl-1-phenylurea is sourced from PubChem (CID 66696852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).