N-hydroxy-4-naphthalen-2-yl-3-[4-(phenylmethoxymethyl)triazol-1-yl]butanamide

C24H24N4O3 — CID 154997077

IUPACN-hydroxy-4-naphthalen-2-yl-3-[4-(phenylmethoxymethyl)triazol-1-yl]butanamide
SMILESO=C(CC(Cc1ccc2ccccc2c1)n1cc(COCc2ccccc2)nn1)NO
InChIInChI=1S/C24H24N4O3/c29-24(26-30)14-23(13-19-10-11-20-8-4-5-9-21(20)12-19)28-15-22(25-27-28)17-31-16-18-6-2-1-3-7-18/h1-12,15,23,30H,13-14,16-17H2,(H,26,29)
InChIKeySHAAJWXJWYXMIJ-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.83
Rot. Bonds9

About N-hydroxy-4-naphthalen-2-yl-3-[4-(phenylmethoxymethyl)triazol-1-yl]butanamide

N-hydroxy-4-naphthalen-2-yl-3-[4-(phenylmethoxymethyl)triazol-1-yl]butanamide (PubChem CID 154997077) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-hydroxy-4-naphthalen-2-yl-3-[4-(phenylmethoxymethyl)triazol-1-yl]butanamide.

Molecular Properties

Compound NameN-hydroxy-4-naphthalen-2-yl-3-[4-(phenylmethoxymethyl)triazol-1-yl]butanamide
PubChem CID154997077
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC NameN-hydroxy-4-naphthalen-2-yl-3-[4-(phenylmethoxymethyl)triazol-1-yl]butanamide
SMILESO=C(CC(Cc1ccc2ccccc2c1)n1cc(COCc2ccccc2)nn1)NO
InChIInChI=1S/C24H24N4O3/c29-24(26-30)14-23(13-19-10-11-20-8-4-5-9-21(20)12-19)28-15-22(25-27-28)17-31-16-18-6-2-1-3-7-18/h1-12,15,23,30H,13-14,16-17H2,(H,26,29)
InChIKeySHAAJWXJWYXMIJ-UHFFFAOYSA-N
XLogP3.83
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[[1-[(2R)-4-(hydroxyamino)-1-naphthalen-2-yl-4-oxobutan-2-yl]triazol-4-yl]methyl]pyridine-4-carboxamide
CID 155008888
(3R)-N-hydroxy-4-naphthalen-2-yl-3-[4-[[(5-phenylthiophen-2-yl)sulfonylamino]methyl]triazol-1-yl]butanamide
CID 164530799
3-[5-(aminomethyl)triazol-1-yl]-N-hydroxy-4-naphthalen-2-ylbutanamide
CID 154997008
N-[[1-[(2R)-1-(4-bromophenyl)-4-(hydroxyamino)-4-oxobutan-2-yl]triazol-4-yl]methyl]-4-fluorobenzamide
CID 154996796
(3S)-4-naphthalen-2-yl-3-[(2-phenylacetyl)amino]butanoic acid
CID 67360770
N-[[1-[(2R)-1-(1,3-benzothiazol-6-yl)-4-(hydroxyamino)-4-oxobutan-2-yl]triazol-4-yl]methyl]-3,4-difluorobenzamide
CID 154997041
3-naphthalen-2-yl-2-[(2-phenylacetyl)amino]propanoic acid
CID 139753355
2-naphthalen-2-yl-N-(3-phenylmethoxypropyl)acetamide
CID 41365702
3-naphthalen-2-yl-2-(phenylmethoxycarbonylamino)propanoic acid
CID 3288957
(2R)-2-[4-(phenoxymethyl)triazol-1-yl]-N-(2-phenylethyl)propanamide
CID 124938567
naphthalen-2-ol;phenylmethoxymethylbenzene
CID 18786875
(2R)-N-[(2S)-1-(benzylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
CID 87854627

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-naphthalen-2-yl-3-[4-(phenylmethoxymethyl)triazol-1-yl]butanamide?
The IUPAC name of N-hydroxy-4-naphthalen-2-yl-3-[4-(phenylmethoxymethyl)triazol-1-yl]butanamide (CID 154997077) is N-hydroxy-4-naphthalen-2-yl-3-[4-(phenylmethoxymethyl)triazol-1-yl]butanamide.
What is the SMILES notation for N-hydroxy-4-naphthalen-2-yl-3-[4-(phenylmethoxymethyl)triazol-1-yl]butanamide?
The canonical SMILES for N-hydroxy-4-naphthalen-2-yl-3-[4-(phenylmethoxymethyl)triazol-1-yl]butanamide is O=C(CC(Cc1ccc2ccccc2c1)n1cc(COCc2ccccc2)nn1)NO.
What is the InChIKey of N-hydroxy-4-naphthalen-2-yl-3-[4-(phenylmethoxymethyl)triazol-1-yl]butanamide?
The InChIKey is SHAAJWXJWYXMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c29-24(26-30)14-23(13-19-10-11-20-8-4-5-9-21(20)12-19)28-15-22(25-27-28)17-31-16-18-6-2-1-3-7-18/h1-12,15,23,30H,13-14,16-17H2,(H,26,29).
What are the key properties of N-hydroxy-4-naphthalen-2-yl-3-[4-(phenylmethoxymethyl)triazol-1-yl]butanamide?
N-hydroxy-4-naphthalen-2-yl-3-[4-(phenylmethoxymethyl)triazol-1-yl]butanamide has a molecular weight of 416.48 g/mol, XLogP of 3.83, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-naphthalen-2-yl-3-[4-(phenylmethoxymethyl)triazol-1-yl]butanamide is sourced from PubChem (CID 154997077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).