N-[[4-(dimethylamino)phenyl]methyl]-2-(methylamino)benzamide

C17H21N3O — CID 61378453

IUPACN-[[4-(dimethylamino)phenyl]methyl]-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)NCc1ccc(N(C)C)cc1
InChIInChI=1S/C17H21N3O/c1-18-16-7-5-4-6-15(16)17(21)19-12-13-8-10-14(11-9-13)20(2)3/h4-11,18H,12H2,1-3H3,(H,19,21)
InChIKeyBICCALNIEIXKDV-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.72
Rot. Bonds5

About N-[[4-(dimethylamino)phenyl]methyl]-2-(methylamino)benzamide

N-[[4-(dimethylamino)phenyl]methyl]-2-(methylamino)benzamide (PubChem CID 61378453) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-2-(methylamino)benzamide
PubChem CID61378453
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)NCc1ccc(N(C)C)cc1
InChIInChI=1S/C17H21N3O/c1-18-16-7-5-4-6-15(16)17(21)19-12-13-8-10-14(11-9-13)20(2)3/h4-11,18H,12H2,1-3H3,(H,19,21)
InChIKeyBICCALNIEIXKDV-UHFFFAOYSA-N
XLogP2.72
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 4080899
N-[[4-(dimethylamino)phenyl]methyl]-N'-[2-(dimethylcarbamoyl)phenyl]oxamide
CID 86996307
N-[[4-(dimethylamino)phenyl]methyl]-2-(phenoxymethyl)benzamide
CID 17479222
2-(2-cyanophenyl)-N-[[4-(dimethylamino)phenyl]methyl]benzamide
CID 26819843
2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61375925
N-[[4-(dimethylamino)phenyl]methyl]-2-(4-fluorophenoxy)pyridine-3-carboxamide
CID 22612296
N-[[3-(methoxymethyl)phenyl]methyl]-2-(methylamino)benzamide
CID 61376120
4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 669457
N-[2-[ethyl(methyl)amino]ethyl]-2-(methylamino)benzamide
CID 62636522
N-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 3827367
3-amino-N-[[4-(dimethylamino)phenyl]methyl]pyridine-2-carboxamide
CID 104741972
2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106420098

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-(methylamino)benzamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-(methylamino)benzamide (CID 61378453) is N-[[4-(dimethylamino)phenyl]methyl]-2-(methylamino)benzamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-2-(methylamino)benzamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-2-(methylamino)benzamide is CNc1ccccc1C(=O)NCc1ccc(N(C)C)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-2-(methylamino)benzamide?
The InChIKey is BICCALNIEIXKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-18-16-7-5-4-6-15(16)17(21)19-12-13-8-10-14(11-9-13)20(2)3/h4-11,18H,12H2,1-3H3,(H,19,21).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-2-(methylamino)benzamide?
N-[[4-(dimethylamino)phenyl]methyl]-2-(methylamino)benzamide has a molecular weight of 283.38 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-2-(methylamino)benzamide is sourced from PubChem (CID 61378453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).