3-amino-N-[2-[(3-aminobenzoyl)amino]ethyl]benzamide

C16H18N4O2 — CID 3146924

IUPAC3-amino-N-[2-[(3-aminobenzoyl)amino]ethyl]benzamide
SMILESNc1cccc(C(=O)NCCNC(=O)c2cccc(N)c2)c1
InChIInChI=1S/C16H18N4O2/c17-13-5-1-3-11(9-13)15(21)19-7-8-20-16(22)12-4-2-6-14(18)10-12/h1-6,9-10H,7-8,17-18H2,(H,19,21)(H,20,22)
InChIKeyNBZALXVSQHNHAD-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.01
Rot. Bonds5

About 3-amino-N-[2-[(3-aminobenzoyl)amino]ethyl]benzamide

3-amino-N-[2-[(3-aminobenzoyl)amino]ethyl]benzamide (PubChem CID 3146924) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 3-amino-N-[2-[(3-aminobenzoyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[2-[(3-aminobenzoyl)amino]ethyl]benzamide
PubChem CID3146924
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name3-amino-N-[2-[(3-aminobenzoyl)amino]ethyl]benzamide
SMILESNc1cccc(C(=O)NCCNC(=O)c2cccc(N)c2)c1
InChIInChI=1S/C16H18N4O2/c17-13-5-1-3-11(9-13)15(21)19-7-8-20-16(22)12-4-2-6-14(18)10-12/h1-6,9-10H,7-8,17-18H2,(H,19,21)(H,20,22)
InChIKeyNBZALXVSQHNHAD-UHFFFAOYSA-N
XLogP1.01
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[(3-aminobenzoyl)amino]ethyl]benzamide?
The IUPAC name of 3-amino-N-[2-[(3-aminobenzoyl)amino]ethyl]benzamide (CID 3146924) is 3-amino-N-[2-[(3-aminobenzoyl)amino]ethyl]benzamide.
What is the SMILES notation for 3-amino-N-[2-[(3-aminobenzoyl)amino]ethyl]benzamide?
The canonical SMILES for 3-amino-N-[2-[(3-aminobenzoyl)amino]ethyl]benzamide is Nc1cccc(C(=O)NCCNC(=O)c2cccc(N)c2)c1.
What is the InChIKey of 3-amino-N-[2-[(3-aminobenzoyl)amino]ethyl]benzamide?
The InChIKey is NBZALXVSQHNHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c17-13-5-1-3-11(9-13)15(21)19-7-8-20-16(22)12-4-2-6-14(18)10-12/h1-6,9-10H,7-8,17-18H2,(H,19,21)(H,20,22).
What are the key properties of 3-amino-N-[2-[(3-aminobenzoyl)amino]ethyl]benzamide?
3-amino-N-[2-[(3-aminobenzoyl)amino]ethyl]benzamide has a molecular weight of 298.35 g/mol, XLogP of 1.01, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[(3-aminobenzoyl)amino]ethyl]benzamide is sourced from PubChem (CID 3146924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).