N-[(2S)-1-[2-[2-(3,4-dimethylphenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]-2-naphthalen-1-ylacetamide

C25H27N3O4 — CID 17428422

IUPACN-[(2S)-1-[2-[2-(3,4-dimethylphenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]-2-naphthalen-1-ylacetamide
SMILESCc1ccc(OCC(=O)NNC(=O)[C@H](C)NC(=O)Cc2cccc3ccccc23)cc1C
InChIInChI=1S/C25H27N3O4/c1-16-11-12-21(13-17(16)2)32-15-24(30)27-28-25(31)18(3)26-23(29)14-20-9-6-8-19-7-4-5-10-22(19)20/h4-13,18H,14-15H2,1-3H3,(H,26,29)(H,27,30)(H,28,31)/t18-/m0/s1
InChIKeyLQFVSIWGAFQTMN-SFHVURJKSA-N
MW433.51 g/mol
LogP2.73
Rot. Bonds7

About N-[(2S)-1-[2-[2-(3,4-dimethylphenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]-2-naphthalen-1-ylacetamide

N-[(2S)-1-[2-[2-(3,4-dimethylphenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]-2-naphthalen-1-ylacetamide (PubChem CID 17428422) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[(2S)-1-[2-[2-(3,4-dimethylphenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[(2S)-1-[2-[2-(3,4-dimethylphenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]-2-naphthalen-1-ylacetamide
PubChem CID17428422
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC NameN-[(2S)-1-[2-[2-(3,4-dimethylphenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]-2-naphthalen-1-ylacetamide
SMILESCc1ccc(OCC(=O)NNC(=O)[C@H](C)NC(=O)Cc2cccc3ccccc23)cc1C
InChIInChI=1S/C25H27N3O4/c1-16-11-12-21(13-17(16)2)32-15-24(30)27-28-25(31)18(3)26-23(29)14-20-9-6-8-19-7-4-5-10-22(19)20/h4-13,18H,14-15H2,1-3H3,(H,26,29)(H,27,30)(H,28,31)/t18-/m0/s1
InChIKeyLQFVSIWGAFQTMN-SFHVURJKSA-N
XLogP2.73
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-naphthalen-1-ylacetohydrazide
CID 3397636
N-[2-(3,4-dimethylphenoxy)ethyl]-2-naphthalen-1-ylacetamide
CID 2222927
4-tert-butyl-N-[(2S)-1-[2-[2-(3,4-dimethylphenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 55944327
(2R)-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-ethylpropanamide
CID 8750759
methyl (2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoate
CID 2079406
(2S)-N-(2-methylphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]propanamide
CID 24535921
(2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 2088738
2-naphthalen-1-yl-N'-[2-(4-phenylphenoxy)acetyl]acetohydrazide
CID 4513399
N-[2-(3,4-dimethylphenoxy)ethyl]-3-naphthalen-1-ylpropanamide
CID 100508850
N'-[2-(2-methoxyphenoxy)acetyl]-2-naphthalen-1-ylacetohydrazide
CID 3480178
(2S)-2-(4-ethoxyphenoxy)-N'-(2-naphthalen-1-ylacetyl)propanehydrazide
CID 8960553
N-(2-ethoxyphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]propanamide
CID 17476443

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[2-[2-(3,4-dimethylphenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[(2S)-1-[2-[2-(3,4-dimethylphenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]-2-naphthalen-1-ylacetamide (CID 17428422) is N-[(2S)-1-[2-[2-(3,4-dimethylphenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[(2S)-1-[2-[2-(3,4-dimethylphenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[(2S)-1-[2-[2-(3,4-dimethylphenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]-2-naphthalen-1-ylacetamide is Cc1ccc(OCC(=O)NNC(=O)[C@H](C)NC(=O)Cc2cccc3ccccc23)cc1C.
What is the InChIKey of N-[(2S)-1-[2-[2-(3,4-dimethylphenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]-2-naphthalen-1-ylacetamide?
The InChIKey is LQFVSIWGAFQTMN-SFHVURJKSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-16-11-12-21(13-17(16)2)32-15-24(30)27-28-25(31)18(3)26-23(29)14-20-9-6-8-19-7-4-5-10-22(19)20/h4-13,18H,14-15H2,1-3H3,(H,26,29)(H,27,30)(H,28,31)/t18-/m0/s1.
What are the key properties of N-[(2S)-1-[2-[2-(3,4-dimethylphenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]-2-naphthalen-1-ylacetamide?
N-[(2S)-1-[2-[2-(3,4-dimethylphenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]-2-naphthalen-1-ylacetamide has a molecular weight of 433.51 g/mol, XLogP of 2.73, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[2-[2-(3,4-dimethylphenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 17428422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).