N-[3-(4-benzyl-1,4-diazepane-1-carbonyl)-4-hydroxyphenyl]acetamide

C21H25N3O3 — CID 47070781

IUPACN-[3-(4-benzyl-1,4-diazepane-1-carbonyl)-4-hydroxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(O)c(C(=O)N2CCCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C21H25N3O3/c1-16(25)22-18-8-9-20(26)19(14-18)21(27)24-11-5-10-23(12-13-24)15-17-6-3-2-4-7-17/h2-4,6-9,14,26H,5,10-13,15H2,1H3,(H,22,25)
InChIKeyQZPJMHYSRGLBQK-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.70
Rot. Bonds4

About N-[3-(4-benzyl-1,4-diazepane-1-carbonyl)-4-hydroxyphenyl]acetamide

N-[3-(4-benzyl-1,4-diazepane-1-carbonyl)-4-hydroxyphenyl]acetamide (PubChem CID 47070781) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[3-(4-benzyl-1,4-diazepane-1-carbonyl)-4-hydroxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-benzyl-1,4-diazepane-1-carbonyl)-4-hydroxyphenyl]acetamide
PubChem CID47070781
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-[3-(4-benzyl-1,4-diazepane-1-carbonyl)-4-hydroxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(O)c(C(=O)N2CCCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C21H25N3O3/c1-16(25)22-18-8-9-20(26)19(14-18)21(27)24-11-5-10-23(12-13-24)15-17-6-3-2-4-7-17/h2-4,6-9,14,26H,5,10-13,15H2,1H3,(H,22,25)
InChIKeyQZPJMHYSRGLBQK-UHFFFAOYSA-N
XLogP2.70
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze N-[3-(4-benzyl-1,4-diazepane-1-carbonyl)-4-hydroxyphenyl]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

(4-benzyl-1,4-diazepan-1-yl)-(2-hydroxy-4-methoxyphenyl)methanone
CID 30469431
N-[4-[[4-(1-benzoylpiperidine-4-carbonyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide
CID 3817054
(4-benzyl-1,4-diazepan-1-yl)-(2,5-dichlorophenyl)methanone
CID 18157465
(5-chloro-2-hydroxyphenyl)-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 37015958
(5-chloro-2-hydroxyphenyl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 30953364
(4-benzyl-1,4-diazepan-1-yl)-(3,4-dichlorophenyl)methanone
CID 23969197
N-[4-hydroxy-3-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]phenyl]propanamide
CID 86905409
(4-benzyl-1,4-diazepan-1-yl)-(4-methylphenyl)methanone
CID 23738787
5-acetamido-N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-hydroxybenzamide
CID 86943591
N-[3-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]-4-hydroxyphenyl]prop-2-enamide
CID 166412447
2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoacetic acid
CID 141207482
N-[4-[[4-(2,2-difluoroacetyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide
CID 74224714

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzyl-1,4-diazepane-1-carbonyl)-4-hydroxyphenyl]acetamide?
The IUPAC name of N-[3-(4-benzyl-1,4-diazepane-1-carbonyl)-4-hydroxyphenyl]acetamide (CID 47070781) is N-[3-(4-benzyl-1,4-diazepane-1-carbonyl)-4-hydroxyphenyl]acetamide.
What is the SMILES notation for N-[3-(4-benzyl-1,4-diazepane-1-carbonyl)-4-hydroxyphenyl]acetamide?
The canonical SMILES for N-[3-(4-benzyl-1,4-diazepane-1-carbonyl)-4-hydroxyphenyl]acetamide is CC(=O)Nc1ccc(O)c(C(=O)N2CCCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of N-[3-(4-benzyl-1,4-diazepane-1-carbonyl)-4-hydroxyphenyl]acetamide?
The InChIKey is QZPJMHYSRGLBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-16(25)22-18-8-9-20(26)19(14-18)21(27)24-11-5-10-23(12-13-24)15-17-6-3-2-4-7-17/h2-4,6-9,14,26H,5,10-13,15H2,1H3,(H,22,25).
What are the key properties of N-[3-(4-benzyl-1,4-diazepane-1-carbonyl)-4-hydroxyphenyl]acetamide?
N-[3-(4-benzyl-1,4-diazepane-1-carbonyl)-4-hydroxyphenyl]acetamide has a molecular weight of 367.45 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzyl-1,4-diazepane-1-carbonyl)-4-hydroxyphenyl]acetamide is sourced from PubChem (CID 47070781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).