4-[(4-amino-N-ethylanilino)methyl]benzamide

C16H19N3O — CID 63233885

IUPAC4-[(4-amino-N-ethylanilino)methyl]benzamide
SMILESCCN(Cc1ccc(C(N)=O)cc1)c1ccc(N)cc1
InChIInChI=1S/C16H19N3O/c1-2-19(15-9-7-14(17)8-10-15)11-12-3-5-13(6-4-12)16(18)20/h3-10H,2,11,17H2,1H3,(H2,18,20)
InChIKeySEINONPUEQFESU-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.39
Rot. Bonds5

About 4-[(4-amino-N-ethylanilino)methyl]benzamide

4-[(4-amino-N-ethylanilino)methyl]benzamide (PubChem CID 63233885) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-[(4-amino-N-ethylanilino)methyl]benzamide.

Molecular Properties

Compound Name4-[(4-amino-N-ethylanilino)methyl]benzamide
PubChem CID63233885
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-[(4-amino-N-ethylanilino)methyl]benzamide
SMILESCCN(Cc1ccc(C(N)=O)cc1)c1ccc(N)cc1
InChIInChI=1S/C16H19N3O/c1-2-19(15-9-7-14(17)8-10-15)11-12-3-5-13(6-4-12)16(18)20/h3-10H,2,11,17H2,1H3,(H2,18,20)
InChIKeySEINONPUEQFESU-UHFFFAOYSA-N
XLogP2.39
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(4-aminophenyl)methyl-ethylamino]-3-bromobenzamide
CID 82789748
4-N-ethyl-4-N-[(4-iodophenyl)methyl]benzene-1,4-diamine
CID 65476799
4-[[4-methoxy-N-[(4-methoxyphenyl)methyl]anilino]methyl]benzamide
CID 12031517
4-[(4-aminophenyl)methyl-ethylamino]benzenesulfonamide
CID 60875699
4-[[(4-aminobenzoyl)-methylamino]methyl]benzamide
CID 60940099
4-[(3-aminophenyl)methyl-propylamino]benzamide
CID 60877204
4-aminobenzamide;methanol
CID 144801245
6-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carboxamide
CID 64588400
4-N,4-N-diethylbenzene-1,4-diamine chloride
CID 18327270
4-[[N-[(4-fluorophenyl)methyl]anilino]methyl]benzamide
CID 11371049
4-N,4-N-diethylbenzene-1,4-diamine;2-fluoroacetic acid
CID 88776124
5-amino-2-[benzyl(ethyl)amino]benzamide
CID 61307466

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-N-ethylanilino)methyl]benzamide?
The IUPAC name of 4-[(4-amino-N-ethylanilino)methyl]benzamide (CID 63233885) is 4-[(4-amino-N-ethylanilino)methyl]benzamide.
What is the SMILES notation for 4-[(4-amino-N-ethylanilino)methyl]benzamide?
The canonical SMILES for 4-[(4-amino-N-ethylanilino)methyl]benzamide is CCN(Cc1ccc(C(N)=O)cc1)c1ccc(N)cc1.
What is the InChIKey of 4-[(4-amino-N-ethylanilino)methyl]benzamide?
The InChIKey is SEINONPUEQFESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-19(15-9-7-14(17)8-10-15)11-12-3-5-13(6-4-12)16(18)20/h3-10H,2,11,17H2,1H3,(H2,18,20).
What are the key properties of 4-[(4-amino-N-ethylanilino)methyl]benzamide?
4-[(4-amino-N-ethylanilino)methyl]benzamide has a molecular weight of 269.35 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-N-ethylanilino)methyl]benzamide is sourced from PubChem (CID 63233885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).