3,4-dimethoxy-N-[2-[2-[(2R)-2-naphthalen-2-yloxypropanoyl]hydrazinyl]-2-oxoethyl]benzamide

C24H25N3O6 — CID 41410730

IUPAC3,4-dimethoxy-N-[2-[2-[(2R)-2-naphthalen-2-yloxypropanoyl]hydrazinyl]-2-oxoethyl]benzamide
SMILESCOc1ccc(C(=O)NCC(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1OC
InChIInChI=1S/C24H25N3O6/c1-15(33-19-10-8-16-6-4-5-7-17(16)12-19)23(29)27-26-22(28)14-25-24(30)18-9-11-20(31-2)21(13-18)32-3/h4-13,15H,14H2,1-3H3,(H,25,30)(H,26,28)(H,27,29)/t15-/m1/s1
InChIKeyGMPFHYQWLNWIOL-OAHLLOKOSA-N
MW451.48 g/mol
LogP2.20
Rot. Bonds8

About 3,4-dimethoxy-N-[2-[2-[(2R)-2-naphthalen-2-yloxypropanoyl]hydrazinyl]-2-oxoethyl]benzamide

3,4-dimethoxy-N-[2-[2-[(2R)-2-naphthalen-2-yloxypropanoyl]hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 41410730) has the molecular formula C24H25N3O6 and a molecular weight of 451.48 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-[2-[(2R)-2-naphthalen-2-yloxypropanoyl]hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-[2-[(2R)-2-naphthalen-2-yloxypropanoyl]hydrazinyl]-2-oxoethyl]benzamide
PubChem CID41410730
Molecular FormulaC24H25N3O6
Molecular Weight451.48 g/mol
Exact Mass451.17
IUPAC Name3,4-dimethoxy-N-[2-[2-[(2R)-2-naphthalen-2-yloxypropanoyl]hydrazinyl]-2-oxoethyl]benzamide
SMILESCOc1ccc(C(=O)NCC(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1OC
InChIInChI=1S/C24H25N3O6/c1-15(33-19-10-8-16-6-4-5-7-17(16)12-19)23(29)27-26-22(28)14-25-24(30)18-9-11-20(31-2)21(13-18)32-3/h4-13,15H,14H2,1-3H3,(H,25,30)(H,26,28)(H,27,29)/t15-/m1/s1
InChIKeyGMPFHYQWLNWIOL-OAHLLOKOSA-N
XLogP2.20
TPSA114.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(2-naphthalen-2-yloxypropanoyl)hydrazinyl]-2-oxoethyl]-4-propan-2-yloxybenzamide
CID 17475940
N-[2-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 41410915
(2S)-N'-[2-(4-methoxyphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 8757594
N-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 43004148
(2R)-N'-[2-(4-methoxyphenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 7927347
N'-[3-(2-methoxyphenyl)propanoyl]-2-naphthalen-2-yloxypropanehydrazide
CID 55342358
N-[2-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide
CID 9343276
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide
CID 26531500
N-[(3,4-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide
CID 17070225
(2R)-2-naphthalen-2-yloxy-N'-propanoylpropanehydrazide
CID 8757548
4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[2-(quinoline-2-carbonyl)hydrazinyl]ethyl]benzamide
CID 35066726
N'-[2-(4-acetylphenoxy)propanoyl]-3,4-dimethoxybenzohydrazide
CID 24554535

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-[2-[(2R)-2-naphthalen-2-yloxypropanoyl]hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-[2-[(2R)-2-naphthalen-2-yloxypropanoyl]hydrazinyl]-2-oxoethyl]benzamide (CID 41410730) is 3,4-dimethoxy-N-[2-[2-[(2R)-2-naphthalen-2-yloxypropanoyl]hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-[2-[(2R)-2-naphthalen-2-yloxypropanoyl]hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-[2-[(2R)-2-naphthalen-2-yloxypropanoyl]hydrazinyl]-2-oxoethyl]benzamide is COc1ccc(C(=O)NCC(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-[2-[(2R)-2-naphthalen-2-yloxypropanoyl]hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is GMPFHYQWLNWIOL-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H25N3O6/c1-15(33-19-10-8-16-6-4-5-7-17(16)12-19)23(29)27-26-22(28)14-25-24(30)18-9-11-20(31-2)21(13-18)32-3/h4-13,15H,14H2,1-3H3,(H,25,30)(H,26,28)(H,27,29)/t15-/m1/s1.
What are the key properties of 3,4-dimethoxy-N-[2-[2-[(2R)-2-naphthalen-2-yloxypropanoyl]hydrazinyl]-2-oxoethyl]benzamide?
3,4-dimethoxy-N-[2-[2-[(2R)-2-naphthalen-2-yloxypropanoyl]hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 451.48 g/mol, XLogP of 2.20, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-[2-[(2R)-2-naphthalen-2-yloxypropanoyl]hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 41410730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).