N-(3,4-diaminonaphthalen-1-yl)acetamide

C12H13N3O — CID 121009554

IUPACN-(3,4-diaminonaphthalen-1-yl)acetamide
SMILESCC(=O)Nc1cc(N)c(N)c2ccccc12
InChIInChI=1S/C12H13N3O/c1-7(16)15-11-6-10(13)12(14)9-5-3-2-4-8(9)11/h2-6H,13-14H2,1H3,(H,15,16)
InChIKeyGEEPHXNESMGLQP-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.96
Rot. Bonds1

About N-(3,4-diaminonaphthalen-1-yl)acetamide

N-(3,4-diaminonaphthalen-1-yl)acetamide (PubChem CID 121009554) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N-(3,4-diaminonaphthalen-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-diaminonaphthalen-1-yl)acetamide
PubChem CID121009554
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN-(3,4-diaminonaphthalen-1-yl)acetamide
SMILESCC(=O)Nc1cc(N)c(N)c2ccccc12
InChIInChI=1S/C12H13N3O/c1-7(16)15-11-6-10(13)12(14)9-5-3-2-4-8(9)11/h2-6H,13-14H2,1H3,(H,15,16)
InChIKeyGEEPHXNESMGLQP-UHFFFAOYSA-N
XLogP1.96
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3,4-diaminonaphthalen-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diaminonaphthalen-1-yl)acetamide?
The IUPAC name of N-(3,4-diaminonaphthalen-1-yl)acetamide (CID 121009554) is N-(3,4-diaminonaphthalen-1-yl)acetamide.
What is the SMILES notation for N-(3,4-diaminonaphthalen-1-yl)acetamide?
The canonical SMILES for N-(3,4-diaminonaphthalen-1-yl)acetamide is CC(=O)Nc1cc(N)c(N)c2ccccc12.
What is the InChIKey of N-(3,4-diaminonaphthalen-1-yl)acetamide?
The InChIKey is GEEPHXNESMGLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-7(16)15-11-6-10(13)12(14)9-5-3-2-4-8(9)11/h2-6H,13-14H2,1H3,(H,15,16).
What are the key properties of N-(3,4-diaminonaphthalen-1-yl)acetamide?
N-(3,4-diaminonaphthalen-1-yl)acetamide has a molecular weight of 215.26 g/mol, XLogP of 1.96, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diaminonaphthalen-1-yl)acetamide is sourced from PubChem (CID 121009554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).