4-hydroxy-N-[4-hydroxy-1-[(4-methoxyphenyl)methyl]azepan-3-yl]benzamide

C21H26N2O4 — CID 74505449

IUPAC4-hydroxy-N-[4-hydroxy-1-[(4-methoxyphenyl)methyl]azepan-3-yl]benzamide
SMILESCOc1ccc(CN2CCCC(O)C(NC(=O)c3ccc(O)cc3)C2)cc1
InChIInChI=1S/C21H26N2O4/c1-27-18-10-4-15(5-11-18)13-23-12-2-3-20(25)19(14-23)22-21(26)16-6-8-17(24)9-7-16/h4-11,19-20,24-25H,2-3,12-14H2,1H3,(H,22,26)
InChIKeyVSVFHZOTKZOVAD-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.16
Rot. Bonds5

About 4-hydroxy-N-[4-hydroxy-1-[(4-methoxyphenyl)methyl]azepan-3-yl]benzamide

4-hydroxy-N-[4-hydroxy-1-[(4-methoxyphenyl)methyl]azepan-3-yl]benzamide (PubChem CID 74505449) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 4-hydroxy-N-[4-hydroxy-1-[(4-methoxyphenyl)methyl]azepan-3-yl]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[4-hydroxy-1-[(4-methoxyphenyl)methyl]azepan-3-yl]benzamide
PubChem CID74505449
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name4-hydroxy-N-[4-hydroxy-1-[(4-methoxyphenyl)methyl]azepan-3-yl]benzamide
SMILESCOc1ccc(CN2CCCC(O)C(NC(=O)c3ccc(O)cc3)C2)cc1
InChIInChI=1S/C21H26N2O4/c1-27-18-10-4-15(5-11-18)13-23-12-2-3-20(25)19(14-23)22-21(26)16-6-8-17(24)9-7-16/h4-11,19-20,24-25H,2-3,12-14H2,1H3,(H,22,26)
InChIKeyVSVFHZOTKZOVAD-UHFFFAOYSA-N
XLogP2.16
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(3R,4R)-4-hydroxy-3-[[4-(2-methoxyethoxy)benzoyl]amino]azepan-1-yl]methyl]benzoic acid
CID 26742263
N-[(3S,4S)-1-benzyl-4-hydroxyazepan-3-yl]-4-phenylmethoxybenzamide
CID 10836395
N-[(3R,4R)-4-hydroxy-1-[(3-methoxyphenyl)methyl]azepan-3-yl]-4-phenylmethoxybenzamide
CID 26741961
N-(1-benzyl-4-hydroxyazepan-3-yl)-4-[(4-fluorophenyl)methoxy]benzamide
CID 74418879
4-(2-amino-2-oxoethoxy)-N-[4-hydroxy-1-[(3-methoxyphenyl)methyl]azepan-3-yl]benzamide
CID 74505286
4-(2-amino-2-oxoethoxy)-N-[1-[(4-fluorophenyl)methyl]-4-hydroxyazepan-3-yl]benzamide
CID 74505277
(3R,4R)-4-hydroxy-3-[(4-methoxybenzoyl)amino]-N-propan-2-ylazepane-1-carboxamide
CID 26742078
N-[(3R,4R)-1-(cyclopropylmethyl)-4-hydroxyazepan-3-yl]-4-[(4-fluorophenyl)methoxy]benzamide
CID 26742059
methyl 1-[(4-methoxyphenyl)methyl]piperidine-3-carboxylate;hydrochloride
CID 14181476
N-[1-(4-methoxyphenyl)propyl]-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 43876464
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
[1-[(4-methoxyphenyl)methyl]piperidin-3-yl] acetate
CID 46898261

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[4-hydroxy-1-[(4-methoxyphenyl)methyl]azepan-3-yl]benzamide?
The IUPAC name of 4-hydroxy-N-[4-hydroxy-1-[(4-methoxyphenyl)methyl]azepan-3-yl]benzamide (CID 74505449) is 4-hydroxy-N-[4-hydroxy-1-[(4-methoxyphenyl)methyl]azepan-3-yl]benzamide.
What is the SMILES notation for 4-hydroxy-N-[4-hydroxy-1-[(4-methoxyphenyl)methyl]azepan-3-yl]benzamide?
The canonical SMILES for 4-hydroxy-N-[4-hydroxy-1-[(4-methoxyphenyl)methyl]azepan-3-yl]benzamide is COc1ccc(CN2CCCC(O)C(NC(=O)c3ccc(O)cc3)C2)cc1.
What is the InChIKey of 4-hydroxy-N-[4-hydroxy-1-[(4-methoxyphenyl)methyl]azepan-3-yl]benzamide?
The InChIKey is VSVFHZOTKZOVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-27-18-10-4-15(5-11-18)13-23-12-2-3-20(25)19(14-23)22-21(26)16-6-8-17(24)9-7-16/h4-11,19-20,24-25H,2-3,12-14H2,1H3,(H,22,26).
What are the key properties of 4-hydroxy-N-[4-hydroxy-1-[(4-methoxyphenyl)methyl]azepan-3-yl]benzamide?
4-hydroxy-N-[4-hydroxy-1-[(4-methoxyphenyl)methyl]azepan-3-yl]benzamide has a molecular weight of 370.45 g/mol, XLogP of 2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[4-hydroxy-1-[(4-methoxyphenyl)methyl]azepan-3-yl]benzamide is sourced from PubChem (CID 74505449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).