N'-(2-naphthalen-2-yloxypropanoyl)-1,3-benzodioxole-5-carbohydrazide

C21H18N2O5 — CID 43003657

IUPACN'-(2-naphthalen-2-yloxypropanoyl)-1,3-benzodioxole-5-carbohydrazide
SMILESCC(Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C21H18N2O5/c1-13(28-17-8-6-14-4-2-3-5-15(14)10-17)20(24)22-23-21(25)16-7-9-18-19(11-16)27-12-26-18/h2-11,13H,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyLAEDUDZQZUZLJP-UHFFFAOYSA-N
MW378.38 g/mol
LogP2.80
Rot. Bonds4

About N'-(2-naphthalen-2-yloxypropanoyl)-1,3-benzodioxole-5-carbohydrazide

N'-(2-naphthalen-2-yloxypropanoyl)-1,3-benzodioxole-5-carbohydrazide (PubChem CID 43003657) has the molecular formula C21H18N2O5 and a molecular weight of 378.38 g/mol. Its IUPAC name is N'-(2-naphthalen-2-yloxypropanoyl)-1,3-benzodioxole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(2-naphthalen-2-yloxypropanoyl)-1,3-benzodioxole-5-carbohydrazide
PubChem CID43003657
Molecular FormulaC21H18N2O5
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC NameN'-(2-naphthalen-2-yloxypropanoyl)-1,3-benzodioxole-5-carbohydrazide
SMILESCC(Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C21H18N2O5/c1-13(28-17-8-6-14-4-2-3-5-15(14)10-17)20(24)22-23-21(25)16-7-9-18-19(11-16)27-12-26-18/h2-11,13H,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyLAEDUDZQZUZLJP-UHFFFAOYSA-N
XLogP2.80
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-fluorophenoxy)propanoyl]-1,3-benzodioxole-5-carbohydrazide
CID 4682218
N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9343683
N'-[(2S)-2-naphthalen-2-yloxypropanoyl]-4-(trifluoromethyl)benzohydrazide
CID 27813982
4-(cyclopropylmethoxy)-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide
CID 60572558
3-ethoxy-N'-[(2R)-2-naphthalen-2-yloxypropanoyl]benzohydrazide
CID 9294538
N'-[4-(difluoromethoxy)benzoyl]-1,3-benzodioxole-5-carbohydrazide
CID 43002109
3,5-dichloro-4-methoxy-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide
CID 55405875
(2S)-2-(4-methylphenoxy)-N'-[(2R)-2-naphthalen-2-yloxypropanoyl]propanehydrazide
CID 8757604
(2R)-2-(4-methylphenoxy)-N'-[(2R)-2-naphthalen-2-yloxypropanoyl]propanehydrazide
CID 8757605
2,3-dichloro-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide
CID 43003659
N-naphthalen-2-yl-1,3-benzodioxole-5-carboxamide
CID 959403
3-bromo-4-(3-methylbutoxy)-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide
CID 17339571

Frequently Asked Questions

What is the IUPAC name of N'-(2-naphthalen-2-yloxypropanoyl)-1,3-benzodioxole-5-carbohydrazide?
The IUPAC name of N'-(2-naphthalen-2-yloxypropanoyl)-1,3-benzodioxole-5-carbohydrazide (CID 43003657) is N'-(2-naphthalen-2-yloxypropanoyl)-1,3-benzodioxole-5-carbohydrazide.
What is the SMILES notation for N'-(2-naphthalen-2-yloxypropanoyl)-1,3-benzodioxole-5-carbohydrazide?
The canonical SMILES for N'-(2-naphthalen-2-yloxypropanoyl)-1,3-benzodioxole-5-carbohydrazide is CC(Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N'-(2-naphthalen-2-yloxypropanoyl)-1,3-benzodioxole-5-carbohydrazide?
The InChIKey is LAEDUDZQZUZLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O5/c1-13(28-17-8-6-14-4-2-3-5-15(14)10-17)20(24)22-23-21(25)16-7-9-18-19(11-16)27-12-26-18/h2-11,13H,12H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N'-(2-naphthalen-2-yloxypropanoyl)-1,3-benzodioxole-5-carbohydrazide?
N'-(2-naphthalen-2-yloxypropanoyl)-1,3-benzodioxole-5-carbohydrazide has a molecular weight of 378.38 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-naphthalen-2-yloxypropanoyl)-1,3-benzodioxole-5-carbohydrazide is sourced from PubChem (CID 43003657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).