N-(3-acetamidophenyl)-2-[3-(azepane-1-carbonyl)anilino]acetamide

C23H28N4O3 — CID 54841554

IUPACN-(3-acetamidophenyl)-2-[3-(azepane-1-carbonyl)anilino]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CNc2cccc(C(=O)N3CCCCCC3)c2)c1
InChIInChI=1S/C23H28N4O3/c1-17(28)25-20-10-7-11-21(15-20)26-22(29)16-24-19-9-6-8-18(14-19)23(30)27-12-4-2-3-5-13-27/h6-11,14-15,24H,2-5,12-13,16H2,1H3,(H,25,28)(H,26,29)
InChIKeyDXWJQSWTOWFCOB-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.71
Rot. Bonds6

About N-(3-acetamidophenyl)-2-[3-(azepane-1-carbonyl)anilino]acetamide

N-(3-acetamidophenyl)-2-[3-(azepane-1-carbonyl)anilino]acetamide (PubChem CID 54841554) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-[3-(azepane-1-carbonyl)anilino]acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-[3-(azepane-1-carbonyl)anilino]acetamide
PubChem CID54841554
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC NameN-(3-acetamidophenyl)-2-[3-(azepane-1-carbonyl)anilino]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CNc2cccc(C(=O)N3CCCCCC3)c2)c1
InChIInChI=1S/C23H28N4O3/c1-17(28)25-20-10-7-11-21(15-20)26-22(29)16-24-19-9-6-8-18(14-19)23(30)27-12-4-2-3-5-13-27/h6-11,14-15,24H,2-5,12-13,16H2,1H3,(H,25,28)(H,26,29)
InChIKeyDXWJQSWTOWFCOB-UHFFFAOYSA-N
XLogP3.71
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(3-acetamidophenyl)-2-[3-(azepane-1-carbonyl)anilino]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-acetamidoanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54809150
N-[3-[[2-[3-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54833152
2,2-dimethyl-N-[3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]phenyl]propanamide
CID 54835732
2-methyl-N-[3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54843283
2-(3-acetamidoanilino)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 54831502
N-methyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54839676
N-[3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]benzamide
CID 54841067
N-[3-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]phenyl]hexanamide
CID 54841375
3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833646
3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54843467
N-ethyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54838048
N-[4-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54841208

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-[3-(azepane-1-carbonyl)anilino]acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-[3-(azepane-1-carbonyl)anilino]acetamide (CID 54841554) is N-(3-acetamidophenyl)-2-[3-(azepane-1-carbonyl)anilino]acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-[3-(azepane-1-carbonyl)anilino]acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-[3-(azepane-1-carbonyl)anilino]acetamide is CC(=O)Nc1cccc(NC(=O)CNc2cccc(C(=O)N3CCCCCC3)c2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-[3-(azepane-1-carbonyl)anilino]acetamide?
The InChIKey is DXWJQSWTOWFCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-17(28)25-20-10-7-11-21(15-20)26-22(29)16-24-19-9-6-8-18(14-19)23(30)27-12-4-2-3-5-13-27/h6-11,14-15,24H,2-5,12-13,16H2,1H3,(H,25,28)(H,26,29).
What are the key properties of N-(3-acetamidophenyl)-2-[3-(azepane-1-carbonyl)anilino]acetamide?
N-(3-acetamidophenyl)-2-[3-(azepane-1-carbonyl)anilino]acetamide has a molecular weight of 408.50 g/mol, XLogP of 3.71, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-[3-(azepane-1-carbonyl)anilino]acetamide is sourced from PubChem (CID 54841554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).