5-amino-2-[benzyl(ethyl)amino]benzamide

C16H19N3O — CID 61307466

IUPAC5-amino-2-[benzyl(ethyl)amino]benzamide
SMILESCCN(Cc1ccccc1)c1ccc(N)cc1C(N)=O
InChIInChI=1S/C16H19N3O/c1-2-19(11-12-6-4-3-5-7-12)15-9-8-13(17)10-14(15)16(18)20/h3-10H,2,11,17H2,1H3,(H2,18,20)
InChIKeyNPOLFBKXEOTSTR-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.39
Rot. Bonds5

About 5-amino-2-[benzyl(ethyl)amino]benzamide

5-amino-2-[benzyl(ethyl)amino]benzamide (PubChem CID 61307466) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 5-amino-2-[benzyl(ethyl)amino]benzamide.

Molecular Properties

Compound Name5-amino-2-[benzyl(ethyl)amino]benzamide
PubChem CID61307466
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name5-amino-2-[benzyl(ethyl)amino]benzamide
SMILESCCN(Cc1ccccc1)c1ccc(N)cc1C(N)=O
InChIInChI=1S/C16H19N3O/c1-2-19(11-12-6-4-3-5-7-12)15-9-8-13(17)10-14(15)16(18)20/h3-10H,2,11,17H2,1H3,(H2,18,20)
InChIKeyNPOLFBKXEOTSTR-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-[ethyl(2-hydroxyethyl)amino]benzamide
CID 55136103
2-[benzyl(ethyl)amino]-5-methylbenzenecarbothioamide
CID 107928507
3-N-benzyl-3-N-ethyl-4-methylbenzene-1,3-diamine
CID 62589958
2-(4-amino-2-carbamoyl-N-ethylanilino)-2-oxoacetic acid
CID 66769062
2-[(3-aminophenyl)methyl-propylamino]benzamide
CID 60876866
4-[(4-aminophenyl)methyl-ethylamino]-3-bromobenzamide
CID 82789748
5-amino-2-[ethyl(2-hydroxyethyl)amino]benzoic acid
CID 60989168
5-amino-2-(N-ethylanilino)benzoic acid
CID 54888269
5-amino-2-[ethyl(oxolan-2-ylmethyl)amino]benzamide
CID 61439301
4-[(4-amino-N-ethylanilino)methyl]benzamide
CID 63233885
methyl 2-amino-3-[benzyl(ethyl)amino]benzoate
CID 115544694
methyl 2-amino-5-[benzyl(ethyl)amino]benzoate
CID 61307302

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[benzyl(ethyl)amino]benzamide?
The IUPAC name of 5-amino-2-[benzyl(ethyl)amino]benzamide (CID 61307466) is 5-amino-2-[benzyl(ethyl)amino]benzamide.
What is the SMILES notation for 5-amino-2-[benzyl(ethyl)amino]benzamide?
The canonical SMILES for 5-amino-2-[benzyl(ethyl)amino]benzamide is CCN(Cc1ccccc1)c1ccc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-2-[benzyl(ethyl)amino]benzamide?
The InChIKey is NPOLFBKXEOTSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-19(11-12-6-4-3-5-7-12)15-9-8-13(17)10-14(15)16(18)20/h3-10H,2,11,17H2,1H3,(H2,18,20).
What are the key properties of 5-amino-2-[benzyl(ethyl)amino]benzamide?
5-amino-2-[benzyl(ethyl)amino]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 5-amino-2-[benzyl(ethyl)amino]benzamide is sourced from PubChem (CID 61307466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).