4-(4-acetamidobenzoyl)-N-tert-butyl-1,4-diazepane-1-carboxamide

C19H28N4O3 — CID 110813341

IUPAC4-(4-acetamidobenzoyl)-N-tert-butyl-1,4-diazepane-1-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCCN(C(=O)NC(C)(C)C)CC2)cc1
InChIInChI=1S/C19H28N4O3/c1-14(24)20-16-8-6-15(7-9-16)17(25)22-10-5-11-23(13-12-22)18(26)21-19(2,3)4/h6-9H,5,10-13H2,1-4H3,(H,20,24)(H,21,26)
InChIKeyJNYOGFPWINEZHL-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.30
Rot. Bonds2

About 4-(4-acetamidobenzoyl)-N-tert-butyl-1,4-diazepane-1-carboxamide

4-(4-acetamidobenzoyl)-N-tert-butyl-1,4-diazepane-1-carboxamide (PubChem CID 110813341) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-(4-acetamidobenzoyl)-N-tert-butyl-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-(4-acetamidobenzoyl)-N-tert-butyl-1,4-diazepane-1-carboxamide
PubChem CID110813341
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name4-(4-acetamidobenzoyl)-N-tert-butyl-1,4-diazepane-1-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCCN(C(=O)NC(C)(C)C)CC2)cc1
InChIInChI=1S/C19H28N4O3/c1-14(24)20-16-8-6-15(7-9-16)17(25)22-10-5-11-23(13-12-22)18(26)21-19(2,3)4/h6-9H,5,10-13H2,1-4H3,(H,20,24)(H,21,26)
InChIKeyJNYOGFPWINEZHL-UHFFFAOYSA-N
XLogP2.30
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(4-acetamidobenzoyl)-N-tert-butyl-1,4-diazepane-1-carboxamide 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

N-[4-[4-(cyclopropanecarbonyl)-1,4-diazepane-1-carbonyl]phenyl]acetamide
CID 110806427
N-tert-butyl-4-(3,4-dichlorobenzoyl)-1,4-diazepane-1-carboxamide
CID 110811531
N-tert-butyl-4-(1-methylpyrrole-3-carbonyl)-1,4-diazepane-1-carboxamide
CID 110813577
N-tert-butyl-4-(4-cyclohexylbenzoyl)piperazine-1-carboxamide
CID 110812367
4-(4-acetamidobenzoyl)-N-cyclohexylpiperazine-1-carboxamide
CID 110812233
4-(4-acetamidobenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812235
N-tert-butyl-4-(3-fluorobenzoyl)-1,4-diazepane-1-carboxamide
CID 110811477
N-[4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 110800200
4-(azepane-1-carbonyl)-N-tert-butylbenzamide
CID 48845413
N-(4-tert-butylphenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044308
N-[4-(4-cyclopropylpiperazine-1-carbonyl)phenyl]acetamide
CID 110741243
N-[4-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 134061665

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetamidobenzoyl)-N-tert-butyl-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-(4-acetamidobenzoyl)-N-tert-butyl-1,4-diazepane-1-carboxamide (CID 110813341) is 4-(4-acetamidobenzoyl)-N-tert-butyl-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-(4-acetamidobenzoyl)-N-tert-butyl-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-(4-acetamidobenzoyl)-N-tert-butyl-1,4-diazepane-1-carboxamide is CC(=O)Nc1ccc(C(=O)N2CCCN(C(=O)NC(C)(C)C)CC2)cc1.
What is the InChIKey of 4-(4-acetamidobenzoyl)-N-tert-butyl-1,4-diazepane-1-carboxamide?
The InChIKey is JNYOGFPWINEZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-14(24)20-16-8-6-15(7-9-16)17(25)22-10-5-11-23(13-12-22)18(26)21-19(2,3)4/h6-9H,5,10-13H2,1-4H3,(H,20,24)(H,21,26).
What are the key properties of 4-(4-acetamidobenzoyl)-N-tert-butyl-1,4-diazepane-1-carboxamide?
4-(4-acetamidobenzoyl)-N-tert-butyl-1,4-diazepane-1-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetamidobenzoyl)-N-tert-butyl-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 110813341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).