3-amino-2,2-dimethyl-N-(2-oxoazepan-3-yl)propanamide

C11H21N3O2 — CID 81490080

IUPAC3-amino-2,2-dimethyl-N-(2-oxoazepan-3-yl)propanamide
SMILESCC(C)(CN)C(=O)NC1CCCCNC1=O
InChIInChI=1S/C11H21N3O2/c1-11(2,7-12)10(16)14-8-5-3-4-6-13-9(8)15/h8H,3-7,12H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyBVQKPHNAUYGCBR-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.24
Rot. Bonds3

About 3-amino-2,2-dimethyl-N-(2-oxoazepan-3-yl)propanamide

3-amino-2,2-dimethyl-N-(2-oxoazepan-3-yl)propanamide (PubChem CID 81490080) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-N-(2-oxoazepan-3-yl)propanamide.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-N-(2-oxoazepan-3-yl)propanamide
PubChem CID81490080
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name3-amino-2,2-dimethyl-N-(2-oxoazepan-3-yl)propanamide
SMILESCC(C)(CN)C(=O)NC1CCCCNC1=O
InChIInChI=1S/C11H21N3O2/c1-11(2,7-12)10(16)14-8-5-3-4-6-13-9(8)15/h8H,3-7,12H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyBVQKPHNAUYGCBR-UHFFFAOYSA-N
XLogP-0.24
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-amino-2,2-dimethyl-N-(2-oxoazepan-3-yl)propanamide 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 3-amino-2,2-dimethyl-N-(2-oxoazepan-3-yl)propanamide?
The IUPAC name of 3-amino-2,2-dimethyl-N-(2-oxoazepan-3-yl)propanamide (CID 81490080) is 3-amino-2,2-dimethyl-N-(2-oxoazepan-3-yl)propanamide.
What is the SMILES notation for 3-amino-2,2-dimethyl-N-(2-oxoazepan-3-yl)propanamide?
The canonical SMILES for 3-amino-2,2-dimethyl-N-(2-oxoazepan-3-yl)propanamide is CC(C)(CN)C(=O)NC1CCCCNC1=O.
What is the InChIKey of 3-amino-2,2-dimethyl-N-(2-oxoazepan-3-yl)propanamide?
The InChIKey is BVQKPHNAUYGCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-11(2,7-12)10(16)14-8-5-3-4-6-13-9(8)15/h8H,3-7,12H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of 3-amino-2,2-dimethyl-N-(2-oxoazepan-3-yl)propanamide?
3-amino-2,2-dimethyl-N-(2-oxoazepan-3-yl)propanamide has a molecular weight of 227.31 g/mol, XLogP of -0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-N-(2-oxoazepan-3-yl)propanamide is sourced from PubChem (CID 81490080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).