N-[2-[(3-amino-2,2-dimethylpropyl)-ethylamino]acetyl]benzamide

C16H25N3O2 — CID 79664554

IUPACN-[2-[(3-amino-2,2-dimethylpropyl)-ethylamino]acetyl]benzamide
SMILESCCN(CC(=O)NC(=O)c1ccccc1)CC(C)(C)CN
InChIInChI=1S/C16H25N3O2/c1-4-19(12-16(2,3)11-17)10-14(20)18-15(21)13-8-6-5-7-9-13/h5-9H,4,10-12,17H2,1-3H3,(H,18,20,21)
InChIKeyFUSMKVSZBPIKBR-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.25
Rot. Bonds7

About N-[2-[(3-amino-2,2-dimethylpropyl)-ethylamino]acetyl]benzamide

N-[2-[(3-amino-2,2-dimethylpropyl)-ethylamino]acetyl]benzamide (PubChem CID 79664554) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[2-[(3-amino-2,2-dimethylpropyl)-ethylamino]acetyl]benzamide.

Molecular Properties

Compound NameN-[2-[(3-amino-2,2-dimethylpropyl)-ethylamino]acetyl]benzamide
PubChem CID79664554
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-[2-[(3-amino-2,2-dimethylpropyl)-ethylamino]acetyl]benzamide
SMILESCCN(CC(=O)NC(=O)c1ccccc1)CC(C)(C)CN
InChIInChI=1S/C16H25N3O2/c1-4-19(12-16(2,3)11-17)10-14(20)18-15(21)13-8-6-5-7-9-13/h5-9H,4,10-12,17H2,1-3H3,(H,18,20,21)
InChIKeyFUSMKVSZBPIKBR-UHFFFAOYSA-N
XLogP1.25
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[(3-amino-2,2-dimethylpropyl)-ethylamino]acetyl]benzamide 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-[2-[(3-amino-2,2-dimethylpropyl)-ethylamino]acetyl]benzamide?
The IUPAC name of N-[2-[(3-amino-2,2-dimethylpropyl)-ethylamino]acetyl]benzamide (CID 79664554) is N-[2-[(3-amino-2,2-dimethylpropyl)-ethylamino]acetyl]benzamide.
What is the SMILES notation for N-[2-[(3-amino-2,2-dimethylpropyl)-ethylamino]acetyl]benzamide?
The canonical SMILES for N-[2-[(3-amino-2,2-dimethylpropyl)-ethylamino]acetyl]benzamide is CCN(CC(=O)NC(=O)c1ccccc1)CC(C)(C)CN.
What is the InChIKey of N-[2-[(3-amino-2,2-dimethylpropyl)-ethylamino]acetyl]benzamide?
The InChIKey is FUSMKVSZBPIKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-19(12-16(2,3)11-17)10-14(20)18-15(21)13-8-6-5-7-9-13/h5-9H,4,10-12,17H2,1-3H3,(H,18,20,21).
What are the key properties of N-[2-[(3-amino-2,2-dimethylpropyl)-ethylamino]acetyl]benzamide?
N-[2-[(3-amino-2,2-dimethylpropyl)-ethylamino]acetyl]benzamide has a molecular weight of 291.39 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-amino-2,2-dimethylpropyl)-ethylamino]acetyl]benzamide is sourced from PubChem (CID 79664554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).