N-[4-(diethylamino)phenyl]-3-(dimethylamino)benzamide

C19H25N3O — CID 8761945

IUPACN-[4-(diethylamino)phenyl]-3-(dimethylamino)benzamide
SMILESCCN(CC)c1ccc(NC(=O)c2cccc(N(C)C)c2)cc1
InChIInChI=1S/C19H25N3O/c1-5-22(6-2)17-12-10-16(11-13-17)20-19(23)15-8-7-9-18(14-15)21(3)4/h7-14H,5-6H2,1-4H3,(H,20,23)
InChIKeyREEYZIVMNBNEDI-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.85
Rot. Bonds6

About N-[4-(diethylamino)phenyl]-3-(dimethylamino)benzamide

N-[4-(diethylamino)phenyl]-3-(dimethylamino)benzamide (PubChem CID 8761945) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-3-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-3-(dimethylamino)benzamide
PubChem CID8761945
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-[4-(diethylamino)phenyl]-3-(dimethylamino)benzamide
SMILESCCN(CC)c1ccc(NC(=O)c2cccc(N(C)C)c2)cc1
InChIInChI=1S/C19H25N3O/c1-5-22(6-2)17-12-10-16(11-13-17)20-19(23)15-8-7-9-18(14-15)21(3)4/h7-14H,5-6H2,1-4H3,(H,20,23)
InChIKeyREEYZIVMNBNEDI-UHFFFAOYSA-N
XLogP3.85
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(diethylamino)phenyl]-3-methylbenzamide
CID 835431
3-(dimethylamino)-N-(4-methylphenyl)benzamide
CID 7899886
3-(dimethylamino)-N-(4-formylphenyl)benzamide
CID 106912114
N-[4-(diethylamino)phenyl]-3-iodobenzamide
CID 2665797
N-(4-bromophenyl)-3-(dimethylamino)benzamide
CID 690521
3-N-[4-(diethylamino)phenyl]-1-N-propylbenzene-1,3-dicarboxamide
CID 109050428
N-[3-[[3-(diethylamino)benzoyl]amino]-5-[2-[3-(diethylamino)phenyl]acetyl]phenyl]-3-(dimethylamino)benzamide
CID 158442544
3-(dimethylamino)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 46437083
N-(4-carbamothioylphenyl)-3-(dimethylamino)benzamide
CID 43329185
N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-(dimethylamino)benzamide
CID 46364150
N-(3-acetylphenyl)-3-(dimethylamino)benzamide
CID 7922589
N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(dimethylamino)benzamide
CID 38381278

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-3-(dimethylamino)benzamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-3-(dimethylamino)benzamide (CID 8761945) is N-[4-(diethylamino)phenyl]-3-(dimethylamino)benzamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-3-(dimethylamino)benzamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-3-(dimethylamino)benzamide is CCN(CC)c1ccc(NC(=O)c2cccc(N(C)C)c2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-3-(dimethylamino)benzamide?
The InChIKey is REEYZIVMNBNEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-5-22(6-2)17-12-10-16(11-13-17)20-19(23)15-8-7-9-18(14-15)21(3)4/h7-14H,5-6H2,1-4H3,(H,20,23).
What are the key properties of N-[4-(diethylamino)phenyl]-3-(dimethylamino)benzamide?
N-[4-(diethylamino)phenyl]-3-(dimethylamino)benzamide has a molecular weight of 311.43 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-3-(dimethylamino)benzamide is sourced from PubChem (CID 8761945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).