N-hydroxy-4-[4-hydroxy-4-naphthalen-1-yl-2-[(naphthalen-2-ylamino)methyl]but-1-enyl]benzamide

C32H28N2O3 — CID 173185485

IUPACN-hydroxy-4-[4-hydroxy-4-naphthalen-1-yl-2-[(naphthalen-2-ylamino)methyl]but-1-enyl]benzamide
SMILESO=C(NO)c1ccc(C=C(CNc2ccc3ccccc3c2)CC(O)c2cccc3ccccc23)cc1
InChIInChI=1S/C32H28N2O3/c35-31(30-11-5-9-25-7-3-4-10-29(25)30)19-23(18-22-12-14-26(15-13-22)32(36)34-37)21-33-28-17-16-24-6-1-2-8-27(24)20-28/h1-18,20,31,33,35,37H,19,21H2,(H,34,36)
InChIKeyGAZVQAVHFUSYCZ-UHFFFAOYSA-N
MW488.59 g/mol
LogP6.73
Rot. Bonds8

About N-hydroxy-4-[4-hydroxy-4-naphthalen-1-yl-2-[(naphthalen-2-ylamino)methyl]but-1-enyl]benzamide

N-hydroxy-4-[4-hydroxy-4-naphthalen-1-yl-2-[(naphthalen-2-ylamino)methyl]but-1-enyl]benzamide (PubChem CID 173185485) has the molecular formula C32H28N2O3 and a molecular weight of 488.59 g/mol. Its IUPAC name is N-hydroxy-4-[4-hydroxy-4-naphthalen-1-yl-2-[(naphthalen-2-ylamino)methyl]but-1-enyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-hydroxy-4-naphthalen-1-yl-2-[(naphthalen-2-ylamino)methyl]but-1-enyl]benzamide
PubChem CID173185485
Molecular FormulaC32H28N2O3
Molecular Weight488.59 g/mol
Exact Mass488.21
IUPAC NameN-hydroxy-4-[4-hydroxy-4-naphthalen-1-yl-2-[(naphthalen-2-ylamino)methyl]but-1-enyl]benzamide
SMILESO=C(NO)c1ccc(C=C(CNc2ccc3ccccc3c2)CC(O)c2cccc3ccccc23)cc1
InChIInChI=1S/C32H28N2O3/c35-31(30-11-5-9-25-7-3-4-10-29(25)30)19-23(18-22-12-14-26(15-13-22)32(36)34-37)21-33-28-17-16-24-6-1-2-8-27(24)20-28/h1-18,20,31,33,35,37H,19,21H2,(H,34,36)
InChIKeyGAZVQAVHFUSYCZ-UHFFFAOYSA-N
XLogP6.73
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.59
LogP ≤ 56.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-4-[(E)-2-(naphthalen-1-yloxymethyl)-3-(quinolin-3-ylamino)prop-1-enyl]benzamide
CID 11540152
4-[2-[[(2-chloro-3-pyridinyl)amino]methyl]-4-hydroxy-4-naphthalen-1-ylbut-1-enyl]benzoic acid
CID 173185440
N-hydroxy-4-[(Z)-4-naphthalen-1-yloxy-2-[(pyridin-3-ylamino)methyl]but-1-enyl]benzamide
CID 11633550
N-hydroxy-4-[2-[(4-phenylmethoxyphenoxy)methyl]-3-(quinolin-3-ylamino)prop-1-enyl]benzamide
CID 73036878
N-hydroxy-4-[2-methyl-3-(4-phenoxyanilino)prop-1-enyl]benzamide
CID 73016288
4-[[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]benzoate
CID 4623297
N-hydroxy-4-[(E)-2-[(2-methoxyethylamino)methyl]-3-naphthalen-1-yloxyprop-1-enyl]benzamide
CID 87225914
N-hydroxy-4-(naphthalen-2-ylsulfonylamino)benzamide
CID 86231375
N-benzyl-4-[[2-(naphthalen-2-ylamino)acetyl]amino]benzamide
CID 54839752
4-[(Z)-2-[[2-[di(propan-2-yl)amino]ethylamino]methyl]-3-naphthalen-1-yloxyprop-1-enyl]-N-hydroxybenzamide
CID 24896815
4-[(Z)-2-[(cyclopentylamino)methyl]-4-naphthalen-1-yloxybut-1-enyl]-N-hydroxybenzamide
CID 11495705
2-(naphthalen-2-ylamino)-N-propan-2-ylacetamide
CID 43398270

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-hydroxy-4-naphthalen-1-yl-2-[(naphthalen-2-ylamino)methyl]but-1-enyl]benzamide?
The IUPAC name of N-hydroxy-4-[4-hydroxy-4-naphthalen-1-yl-2-[(naphthalen-2-ylamino)methyl]but-1-enyl]benzamide (CID 173185485) is N-hydroxy-4-[4-hydroxy-4-naphthalen-1-yl-2-[(naphthalen-2-ylamino)methyl]but-1-enyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[4-hydroxy-4-naphthalen-1-yl-2-[(naphthalen-2-ylamino)methyl]but-1-enyl]benzamide?
The canonical SMILES for N-hydroxy-4-[4-hydroxy-4-naphthalen-1-yl-2-[(naphthalen-2-ylamino)methyl]but-1-enyl]benzamide is O=C(NO)c1ccc(C=C(CNc2ccc3ccccc3c2)CC(O)c2cccc3ccccc23)cc1.
What is the InChIKey of N-hydroxy-4-[4-hydroxy-4-naphthalen-1-yl-2-[(naphthalen-2-ylamino)methyl]but-1-enyl]benzamide?
The InChIKey is GAZVQAVHFUSYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N2O3/c35-31(30-11-5-9-25-7-3-4-10-29(25)30)19-23(18-22-12-14-26(15-13-22)32(36)34-37)21-33-28-17-16-24-6-1-2-8-27(24)20-28/h1-18,20,31,33,35,37H,19,21H2,(H,34,36).
What are the key properties of N-hydroxy-4-[4-hydroxy-4-naphthalen-1-yl-2-[(naphthalen-2-ylamino)methyl]but-1-enyl]benzamide?
N-hydroxy-4-[4-hydroxy-4-naphthalen-1-yl-2-[(naphthalen-2-ylamino)methyl]but-1-enyl]benzamide has a molecular weight of 488.59 g/mol, XLogP of 6.73, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-hydroxy-4-naphthalen-1-yl-2-[(naphthalen-2-ylamino)methyl]but-1-enyl]benzamide is sourced from PubChem (CID 173185485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).