N-hydroxy-2-[3-[4-(naphthalen-1-ylmethoxy)phenyl]-2-oxo-1,3-diazinan-1-yl]propanamide

C24H25N3O4 — CID 44574495

IUPACN-hydroxy-2-[3-[4-(naphthalen-1-ylmethoxy)phenyl]-2-oxo-1,3-diazinan-1-yl]propanamide
SMILESCC(C(=O)NO)N1CCCN(c2ccc(OCc3cccc4ccccc34)cc2)C1=O
InChIInChI=1S/C24H25N3O4/c1-17(23(28)25-30)26-14-5-15-27(24(26)29)20-10-12-21(13-11-20)31-16-19-8-4-7-18-6-2-3-9-22(18)19/h2-4,6-13,17,30H,5,14-16H2,1H3,(H,25,28)
InChIKeyIIJNANCNNFGIQT-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.94
Rot. Bonds6

About N-hydroxy-2-[3-[4-(naphthalen-1-ylmethoxy)phenyl]-2-oxo-1,3-diazinan-1-yl]propanamide

N-hydroxy-2-[3-[4-(naphthalen-1-ylmethoxy)phenyl]-2-oxo-1,3-diazinan-1-yl]propanamide (PubChem CID 44574495) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is N-hydroxy-2-[3-[4-(naphthalen-1-ylmethoxy)phenyl]-2-oxo-1,3-diazinan-1-yl]propanamide.

Molecular Properties

Compound NameN-hydroxy-2-[3-[4-(naphthalen-1-ylmethoxy)phenyl]-2-oxo-1,3-diazinan-1-yl]propanamide
PubChem CID44574495
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC NameN-hydroxy-2-[3-[4-(naphthalen-1-ylmethoxy)phenyl]-2-oxo-1,3-diazinan-1-yl]propanamide
SMILESCC(C(=O)NO)N1CCCN(c2ccc(OCc3cccc4ccccc34)cc2)C1=O
InChIInChI=1S/C24H25N3O4/c1-17(23(28)25-30)26-14-5-15-27(24(26)29)20-10-12-21(13-11-20)31-16-19-8-4-7-18-6-2-3-9-22(18)19/h2-4,6-13,17,30H,5,14-16H2,1H3,(H,25,28)
InChIKeyIIJNANCNNFGIQT-UHFFFAOYSA-N
XLogP3.94
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.94
H-Bond Donors ≤ 52
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-2-[2-oxo-3-[4-(pyridin-2-ylmethoxy)phenyl]-1,3-diazinan-1-yl]propanamide
CID 44574447
4-(naphthalen-1-ylmethoxy)benzohydrazide
CID 91683225
CID 67883357
CID 67883357
[4-(naphthalen-1-ylmethoxy)phenyl]-pyrrolidin-1-ylmethanethione
CID 1229325
(1S)-1-[4-(naphthalen-1-ylmethoxy)phenyl]ethanamine
CID 78933581
1-(phenoxymethyl)naphthalene
CID 588110
(2S)-2-(naphthalen-1-ylmethoxy)propanoic acid
CID 104876043
N-hydroxy-2-[3-methyl-3-(4-naphthalen-1-yloxyphenyl)-2-oxopyrrolidin-1-yl]propanamide
CID 10179360
2-[[[2-cyclobutyl-2-[4-(naphthalen-1-ylmethoxy)phenyl]acetyl]amino]methyl]-3-methylbutanoic acid
CID 171653736
N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-naphthalen-1-ylacetamide
CID 7255326
N-[(2R)-butan-2-yl]-N'-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide
CID 8931005
2-[3-amino-2-oxo-3-[4-(quinolin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide
CID 10389612

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[3-[4-(naphthalen-1-ylmethoxy)phenyl]-2-oxo-1,3-diazinan-1-yl]propanamide?
The IUPAC name of N-hydroxy-2-[3-[4-(naphthalen-1-ylmethoxy)phenyl]-2-oxo-1,3-diazinan-1-yl]propanamide (CID 44574495) is N-hydroxy-2-[3-[4-(naphthalen-1-ylmethoxy)phenyl]-2-oxo-1,3-diazinan-1-yl]propanamide.
What is the SMILES notation for N-hydroxy-2-[3-[4-(naphthalen-1-ylmethoxy)phenyl]-2-oxo-1,3-diazinan-1-yl]propanamide?
The canonical SMILES for N-hydroxy-2-[3-[4-(naphthalen-1-ylmethoxy)phenyl]-2-oxo-1,3-diazinan-1-yl]propanamide is CC(C(=O)NO)N1CCCN(c2ccc(OCc3cccc4ccccc34)cc2)C1=O.
What is the InChIKey of N-hydroxy-2-[3-[4-(naphthalen-1-ylmethoxy)phenyl]-2-oxo-1,3-diazinan-1-yl]propanamide?
The InChIKey is IIJNANCNNFGIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-17(23(28)25-30)26-14-5-15-27(24(26)29)20-10-12-21(13-11-20)31-16-19-8-4-7-18-6-2-3-9-22(18)19/h2-4,6-13,17,30H,5,14-16H2,1H3,(H,25,28).
What are the key properties of N-hydroxy-2-[3-[4-(naphthalen-1-ylmethoxy)phenyl]-2-oxo-1,3-diazinan-1-yl]propanamide?
N-hydroxy-2-[3-[4-(naphthalen-1-ylmethoxy)phenyl]-2-oxo-1,3-diazinan-1-yl]propanamide has a molecular weight of 419.48 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[3-[4-(naphthalen-1-ylmethoxy)phenyl]-2-oxo-1,3-diazinan-1-yl]propanamide is sourced from PubChem (CID 44574495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).