2-acetamido-2-(N-aminoanilino)-N-benzylacetamide

C17H20N4O2 — CID 10903047

IUPAC2-acetamido-2-(N-aminoanilino)-N-benzylacetamide
SMILESCC(=O)NC(C(=O)NCc1ccccc1)N(N)c1ccccc1
InChIInChI=1S/C17H20N4O2/c1-13(22)20-16(21(18)15-10-6-3-7-11-15)17(23)19-12-14-8-4-2-5-9-14/h2-11,16H,12,18H2,1H3,(H,19,23)(H,20,22)
InChIKeyLZWAAVPBFCZFPW-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.15
Rot. Bonds6

About 2-acetamido-2-(N-aminoanilino)-N-benzylacetamide

2-acetamido-2-(N-aminoanilino)-N-benzylacetamide (PubChem CID 10903047) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-acetamido-2-(N-aminoanilino)-N-benzylacetamide.

Molecular Properties

Compound Name2-acetamido-2-(N-aminoanilino)-N-benzylacetamide
PubChem CID10903047
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-acetamido-2-(N-aminoanilino)-N-benzylacetamide
SMILESCC(=O)NC(C(=O)NCc1ccccc1)N(N)c1ccccc1
InChIInChI=1S/C17H20N4O2/c1-13(22)20-16(21(18)15-10-6-3-7-11-15)17(23)19-12-14-8-4-2-5-9-14/h2-11,16H,12,18H2,1H3,(H,19,23)(H,20,22)
InChIKeyLZWAAVPBFCZFPW-UHFFFAOYSA-N
XLogP1.15
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-acetamido-2-(N-aminoanilino)-N-benzylacetamide 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 2-acetamido-2-(N-aminoanilino)-N-benzylacetamide?
The IUPAC name of 2-acetamido-2-(N-aminoanilino)-N-benzylacetamide (CID 10903047) is 2-acetamido-2-(N-aminoanilino)-N-benzylacetamide.
What is the SMILES notation for 2-acetamido-2-(N-aminoanilino)-N-benzylacetamide?
The canonical SMILES for 2-acetamido-2-(N-aminoanilino)-N-benzylacetamide is CC(=O)NC(C(=O)NCc1ccccc1)N(N)c1ccccc1.
What is the InChIKey of 2-acetamido-2-(N-aminoanilino)-N-benzylacetamide?
The InChIKey is LZWAAVPBFCZFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-13(22)20-16(21(18)15-10-6-3-7-11-15)17(23)19-12-14-8-4-2-5-9-14/h2-11,16H,12,18H2,1H3,(H,19,23)(H,20,22).
What are the key properties of 2-acetamido-2-(N-aminoanilino)-N-benzylacetamide?
2-acetamido-2-(N-aminoanilino)-N-benzylacetamide has a molecular weight of 312.37 g/mol, XLogP of 1.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-2-(N-aminoanilino)-N-benzylacetamide is sourced from PubChem (CID 10903047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).