N'-[2-(4-ethoxyphenoxy)propanoyl]-4,6-dimethyl-1H-indole-2-carbohydrazide

C22H25N3O4 — CID 46663449

IUPACN'-[2-(4-ethoxyphenoxy)propanoyl]-4,6-dimethyl-1H-indole-2-carbohydrazide
SMILESCCOc1ccc(OC(C)C(=O)NNC(=O)c2cc3c(C)cc(C)cc3[nH]2)cc1
InChIInChI=1S/C22H25N3O4/c1-5-28-16-6-8-17(9-7-16)29-15(4)21(26)24-25-22(27)20-12-18-14(3)10-13(2)11-19(18)23-20/h6-12,15,23H,5H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyPRQQOTBEUHWQFR-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.41
Rot. Bonds6

About N'-[2-(4-ethoxyphenoxy)propanoyl]-4,6-dimethyl-1H-indole-2-carbohydrazide

N'-[2-(4-ethoxyphenoxy)propanoyl]-4,6-dimethyl-1H-indole-2-carbohydrazide (PubChem CID 46663449) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is N'-[2-(4-ethoxyphenoxy)propanoyl]-4,6-dimethyl-1H-indole-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-ethoxyphenoxy)propanoyl]-4,6-dimethyl-1H-indole-2-carbohydrazide
PubChem CID46663449
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC NameN'-[2-(4-ethoxyphenoxy)propanoyl]-4,6-dimethyl-1H-indole-2-carbohydrazide
SMILESCCOc1ccc(OC(C)C(=O)NNC(=O)c2cc3c(C)cc(C)cc3[nH]2)cc1
InChIInChI=1S/C22H25N3O4/c1-5-28-16-6-8-17(9-7-16)29-15(4)21(26)24-25-22(27)20-12-18-14(3)10-13(2)11-19(18)23-20/h6-12,15,23H,5H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyPRQQOTBEUHWQFR-UHFFFAOYSA-N
XLogP3.41
TPSA92.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.41
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-ethoxyphenoxy)propanoyl]-3-fluoro-4-methylbenzohydrazide
CID 24503076
3,4-diethoxy-N'-[2-(4-ethoxyphenoxy)propanoyl]benzohydrazide
CID 43003826
N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide
CID 9088677
N'-[2-(4-ethoxyphenoxy)propanoyl]-2-phenoxypropanehydrazide
CID 42908805
(2R)-2-(4-ethoxyphenoxy)-N'-[2-(2-methylphenyl)acetyl]propanehydrazide
CID 8573981
2-(4-ethoxyphenoxy)-N'-[2-(2-methylphenyl)acetyl]propanehydrazide
CID 78727477
N-[(2S)-1-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide
CID 9425095
N-[2-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide
CID 9343276
methyl 4-[[[(2S)-2-(4-ethoxyphenoxy)propanoyl]amino]carbamoyl]benzoate
CID 9343601
(4,6-dimethyl-1H-indol-2-yl)-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 35894830
N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2,4,5-trimethoxybenzohydrazide
CID 9343633
3-cyano-N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]benzohydrazide
CID 8960544

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-ethoxyphenoxy)propanoyl]-4,6-dimethyl-1H-indole-2-carbohydrazide?
The IUPAC name of N'-[2-(4-ethoxyphenoxy)propanoyl]-4,6-dimethyl-1H-indole-2-carbohydrazide (CID 46663449) is N'-[2-(4-ethoxyphenoxy)propanoyl]-4,6-dimethyl-1H-indole-2-carbohydrazide.
What is the SMILES notation for N'-[2-(4-ethoxyphenoxy)propanoyl]-4,6-dimethyl-1H-indole-2-carbohydrazide?
The canonical SMILES for N'-[2-(4-ethoxyphenoxy)propanoyl]-4,6-dimethyl-1H-indole-2-carbohydrazide is CCOc1ccc(OC(C)C(=O)NNC(=O)c2cc3c(C)cc(C)cc3[nH]2)cc1.
What is the InChIKey of N'-[2-(4-ethoxyphenoxy)propanoyl]-4,6-dimethyl-1H-indole-2-carbohydrazide?
The InChIKey is PRQQOTBEUHWQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-5-28-16-6-8-17(9-7-16)29-15(4)21(26)24-25-22(27)20-12-18-14(3)10-13(2)11-19(18)23-20/h6-12,15,23H,5H2,1-4H3,(H,24,26)(H,25,27).
What are the key properties of N'-[2-(4-ethoxyphenoxy)propanoyl]-4,6-dimethyl-1H-indole-2-carbohydrazide?
N'-[2-(4-ethoxyphenoxy)propanoyl]-4,6-dimethyl-1H-indole-2-carbohydrazide has a molecular weight of 395.46 g/mol, XLogP of 3.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-ethoxyphenoxy)propanoyl]-4,6-dimethyl-1H-indole-2-carbohydrazide is sourced from PubChem (CID 46663449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).