N-(4-aminophenyl)-3-[(dimethylamino)methyl]benzamide

C16H19N3O — CID 84613744

IUPACN-(4-aminophenyl)-3-[(dimethylamino)methyl]benzamide
SMILESCN(C)Cc1cccc(C(=O)Nc2ccc(N)cc2)c1
InChIInChI=1S/C16H19N3O/c1-19(2)11-12-4-3-5-13(10-12)16(20)18-15-8-6-14(17)7-9-15/h3-10H,11,17H2,1-2H3,(H,18,20)
InChIKeyBGEJHLNNKIBBSM-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.58
Rot. Bonds4

About N-(4-aminophenyl)-3-[(dimethylamino)methyl]benzamide

N-(4-aminophenyl)-3-[(dimethylamino)methyl]benzamide (PubChem CID 84613744) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(4-aminophenyl)-3-[(dimethylamino)methyl]benzamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-3-[(dimethylamino)methyl]benzamide
PubChem CID84613744
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-(4-aminophenyl)-3-[(dimethylamino)methyl]benzamide
SMILESCN(C)Cc1cccc(C(=O)Nc2ccc(N)cc2)c1
InChIInChI=1S/C16H19N3O/c1-19(2)11-12-4-3-5-13(10-12)16(20)18-15-8-6-14(17)7-9-15/h3-10H,11,17H2,1-2H3,(H,18,20)
InChIKeyBGEJHLNNKIBBSM-UHFFFAOYSA-N
XLogP2.58
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(chloromethyl)-N-[3-[(dimethylamino)methyl]phenyl]benzamide
CID 43697953
3-N-(4-aminophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 158719298
3-[(dimethylamino)methyl]-N-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]benzamide
CID 131941645
tert-butyl N-[[3-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]phenyl]methyl]carbamate
CID 44817757
3,4-dichloro-N-[[3-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]phenyl]methyl]benzamide
CID 25054825
4-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]benzoic acid
CID 54173782
3-[3-[(dimethylamino)methyl]phenyl]benzohydrazide
CID 177345259
N-(4-aminophenyl)-3-methoxybenzamide
CID 8566724
3-[(dimethylamino)methyl]benzamide;hydrochloride
CID 68818367
N-(3-aminopropyl)-3-[(dimethylamino)methyl]benzamide
CID 84613738
3-[(dimethylamino)methyl]-N-[6-(2-methoxyphenoxy)-3-pyridinyl]benzamide
CID 131946490
N-[[3-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]phenyl]methyl]-3,4,5-trimethoxybenzamide
CID 25054826

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-3-[(dimethylamino)methyl]benzamide?
The IUPAC name of N-(4-aminophenyl)-3-[(dimethylamino)methyl]benzamide (CID 84613744) is N-(4-aminophenyl)-3-[(dimethylamino)methyl]benzamide.
What is the SMILES notation for N-(4-aminophenyl)-3-[(dimethylamino)methyl]benzamide?
The canonical SMILES for N-(4-aminophenyl)-3-[(dimethylamino)methyl]benzamide is CN(C)Cc1cccc(C(=O)Nc2ccc(N)cc2)c1.
What is the InChIKey of N-(4-aminophenyl)-3-[(dimethylamino)methyl]benzamide?
The InChIKey is BGEJHLNNKIBBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-19(2)11-12-4-3-5-13(10-12)16(20)18-15-8-6-14(17)7-9-15/h3-10H,11,17H2,1-2H3,(H,18,20).
What are the key properties of N-(4-aminophenyl)-3-[(dimethylamino)methyl]benzamide?
N-(4-aminophenyl)-3-[(dimethylamino)methyl]benzamide has a molecular weight of 269.35 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-3-[(dimethylamino)methyl]benzamide is sourced from PubChem (CID 84613744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).