[[4-(dimethylamino)benzoyl]-methylamino] 2-(4-phenylphenyl)benzoate

C29H26N2O3 — CID 174601951

IUPAC[[4-(dimethylamino)benzoyl]-methylamino] 2-(4-phenylphenyl)benzoate
SMILESCN(OC(=O)c1ccccc1-c1ccc(-c2ccccc2)cc1)C(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C29H26N2O3/c1-30(2)25-19-17-24(18-20-25)28(32)31(3)34-29(33)27-12-8-7-11-26(27)23-15-13-22(14-16-23)21-9-5-4-6-10-21/h4-20H,1-3H3
InChIKeyKUYGWLKPOZOLEE-UHFFFAOYSA-N
MW450.54 g/mol
LogP5.93
Rot. Bonds5

About [[4-(dimethylamino)benzoyl]-methylamino] 2-(4-phenylphenyl)benzoate

[[4-(dimethylamino)benzoyl]-methylamino] 2-(4-phenylphenyl)benzoate (PubChem CID 174601951) has the molecular formula C29H26N2O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is [[4-(dimethylamino)benzoyl]-methylamino] 2-(4-phenylphenyl)benzoate.

Molecular Properties

Compound Name[[4-(dimethylamino)benzoyl]-methylamino] 2-(4-phenylphenyl)benzoate
PubChem CID174601951
Molecular FormulaC29H26N2O3
Molecular Weight450.54 g/mol
Exact Mass450.19
IUPAC Name[[4-(dimethylamino)benzoyl]-methylamino] 2-(4-phenylphenyl)benzoate
SMILESCN(OC(=O)c1ccccc1-c1ccc(-c2ccccc2)cc1)C(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C29H26N2O3/c1-30(2)25-19-17-24(18-20-25)28(32)31(3)34-29(33)27-12-8-7-11-26(27)23-15-13-22(14-16-23)21-9-5-4-6-10-21/h4-20H,1-3H3
InChIKeyKUYGWLKPOZOLEE-UHFFFAOYSA-N
XLogP5.93
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[4-(dimethylamino)phenyl]-N,N-dimethylbenzamide
CID 110487766
[2-oxo-2-(4-phenylphenyl)ethyl] 2-[[4-(dimethylamino)phenyl]diazenyl]benzoate
CID 3574015
[[4-(dimethylamino)benzoyl]-methylamino] 2-methylpropanoate
CID 59280991
dimethylcarbamoyl 2-phenylbenzoate
CID 143517009
2-[[4-(dimethylamino)benzoyl]-methylamino]benzoic acid
CID 43823080
4-(dimethylamino)-N-hydroxy-N-phenylbenzamide
CID 71402496
1-(2-chlorophenyl)-2-[4-(dimethylamino)phenyl]ethane-1,2-dione
CID 12619979
[4-(dimethylamino)phenyl]-phenylmethanone
CID 10737
2-[3-(dimethylamino)phenyl]benzoic acid
CID 39226074
1-[2-[4-[4-(2-acetylphenyl)-N-[4-(2-acetylphenyl)phenyl]anilino]phenyl]phenyl]ethanone
CID 122435887
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzamide
CID 7496029
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzamide
CID 7496027

Frequently Asked Questions

What is the IUPAC name of [[4-(dimethylamino)benzoyl]-methylamino] 2-(4-phenylphenyl)benzoate?
The IUPAC name of [[4-(dimethylamino)benzoyl]-methylamino] 2-(4-phenylphenyl)benzoate (CID 174601951) is [[4-(dimethylamino)benzoyl]-methylamino] 2-(4-phenylphenyl)benzoate.
What is the SMILES notation for [[4-(dimethylamino)benzoyl]-methylamino] 2-(4-phenylphenyl)benzoate?
The canonical SMILES for [[4-(dimethylamino)benzoyl]-methylamino] 2-(4-phenylphenyl)benzoate is CN(OC(=O)c1ccccc1-c1ccc(-c2ccccc2)cc1)C(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of [[4-(dimethylamino)benzoyl]-methylamino] 2-(4-phenylphenyl)benzoate?
The InChIKey is KUYGWLKPOZOLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O3/c1-30(2)25-19-17-24(18-20-25)28(32)31(3)34-29(33)27-12-8-7-11-26(27)23-15-13-22(14-16-23)21-9-5-4-6-10-21/h4-20H,1-3H3.
What are the key properties of [[4-(dimethylamino)benzoyl]-methylamino] 2-(4-phenylphenyl)benzoate?
[[4-(dimethylamino)benzoyl]-methylamino] 2-(4-phenylphenyl)benzoate has a molecular weight of 450.54 g/mol, XLogP of 5.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-(dimethylamino)benzoyl]-methylamino] 2-(4-phenylphenyl)benzoate is sourced from PubChem (CID 174601951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).