N,N-diethyl-3,3-dimethyl-5-oxo-5-[2-(3,4,5-trimethoxybenzoyl)hydrazinyl]pentanamide

C21H33N3O6 — CID 3955560

IUPACN,N-diethyl-3,3-dimethyl-5-oxo-5-[2-(3,4,5-trimethoxybenzoyl)hydrazinyl]pentanamide
SMILESCCN(CC)C(=O)CC(C)(C)CC(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C21H33N3O6/c1-8-24(9-2)18(26)13-21(3,4)12-17(25)22-23-20(27)14-10-15(28-5)19(30-7)16(11-14)29-6/h10-11H,8-9,12-13H2,1-7H3,(H,22,25)(H,23,27)
InChIKeyASYIEQPRXIYRFD-UHFFFAOYSA-N
MW423.51 g/mol
LogP2.15
Rot. Bonds10

About N,N-diethyl-3,3-dimethyl-5-oxo-5-[2-(3,4,5-trimethoxybenzoyl)hydrazinyl]pentanamide

N,N-diethyl-3,3-dimethyl-5-oxo-5-[2-(3,4,5-trimethoxybenzoyl)hydrazinyl]pentanamide (PubChem CID 3955560) has the molecular formula C21H33N3O6 and a molecular weight of 423.51 g/mol. Its IUPAC name is N,N-diethyl-3,3-dimethyl-5-oxo-5-[2-(3,4,5-trimethoxybenzoyl)hydrazinyl]pentanamide.

Molecular Properties

Compound NameN,N-diethyl-3,3-dimethyl-5-oxo-5-[2-(3,4,5-trimethoxybenzoyl)hydrazinyl]pentanamide
PubChem CID3955560
Molecular FormulaC21H33N3O6
Molecular Weight423.51 g/mol
Exact Mass423.24
IUPAC NameN,N-diethyl-3,3-dimethyl-5-oxo-5-[2-(3,4,5-trimethoxybenzoyl)hydrazinyl]pentanamide
SMILESCCN(CC)C(=O)CC(C)(C)CC(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C21H33N3O6/c1-8-24(9-2)18(26)13-21(3,4)12-17(25)22-23-20(27)14-10-15(28-5)19(30-7)16(11-14)29-6/h10-11H,8-9,12-13H2,1-7H3,(H,22,25)(H,23,27)
InChIKeyASYIEQPRXIYRFD-UHFFFAOYSA-N
XLogP2.15
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-N',9-N'-bis(3,4,5-trimethoxybenzoyl)nonanedihydrazide
CID 3801032
N,N-dimethyl-2-[2-oxo-2-[2-(3,4,5-trimethoxybenzoyl)hydrazinyl]ethoxy]acetamide
CID 3971396
N-(9-ethylcarbazol-3-yl)-3,3-dimethyl-5-oxo-5-[2-(3,4,5-trimethoxybenzoyl)hydrazinyl]pentanamide
CID 4566264
N'-acetyl-3,4,5-trimethoxybenzohydrazide
CID 913637
N'-[5-[4-(3-chlorophenyl)piperazin-1-yl]-3,3-dimethyl-5-oxopentanoyl]-3,4,5-trimethoxybenzohydrazide
CID 3955628
N-[2-(diethylcarbamoylamino)ethyl]-3,4,5-trimethoxybenzamide
CID 108570778
N'-(3-cyclopentylpropanoyl)-3,4,5-trimethoxybenzohydrazide
CID 4043294
N'-[2-(3,4-dimethylphenyl)acetyl]-3,4,5-trimethoxybenzohydrazide
CID 4808541
N'-(2-ethoxybenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 4926525
5-ethoxy-N'-(3,4,5-trimethoxybenzoyl)-1,3-oxazole-2-carbohydrazide
CID 5121827
3,4,5-trimethoxy-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide
CID 2088517
3,4,5-trimethoxy-N'-(3-piperidin-1-ium-1-ylpropanoyl)benzohydrazide
CID 7448564

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3,3-dimethyl-5-oxo-5-[2-(3,4,5-trimethoxybenzoyl)hydrazinyl]pentanamide?
The IUPAC name of N,N-diethyl-3,3-dimethyl-5-oxo-5-[2-(3,4,5-trimethoxybenzoyl)hydrazinyl]pentanamide (CID 3955560) is N,N-diethyl-3,3-dimethyl-5-oxo-5-[2-(3,4,5-trimethoxybenzoyl)hydrazinyl]pentanamide.
What is the SMILES notation for N,N-diethyl-3,3-dimethyl-5-oxo-5-[2-(3,4,5-trimethoxybenzoyl)hydrazinyl]pentanamide?
The canonical SMILES for N,N-diethyl-3,3-dimethyl-5-oxo-5-[2-(3,4,5-trimethoxybenzoyl)hydrazinyl]pentanamide is CCN(CC)C(=O)CC(C)(C)CC(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N,N-diethyl-3,3-dimethyl-5-oxo-5-[2-(3,4,5-trimethoxybenzoyl)hydrazinyl]pentanamide?
The InChIKey is ASYIEQPRXIYRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O6/c1-8-24(9-2)18(26)13-21(3,4)12-17(25)22-23-20(27)14-10-15(28-5)19(30-7)16(11-14)29-6/h10-11H,8-9,12-13H2,1-7H3,(H,22,25)(H,23,27).
What are the key properties of N,N-diethyl-3,3-dimethyl-5-oxo-5-[2-(3,4,5-trimethoxybenzoyl)hydrazinyl]pentanamide?
N,N-diethyl-3,3-dimethyl-5-oxo-5-[2-(3,4,5-trimethoxybenzoyl)hydrazinyl]pentanamide has a molecular weight of 423.51 g/mol, XLogP of 2.15, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3,3-dimethyl-5-oxo-5-[2-(3,4,5-trimethoxybenzoyl)hydrazinyl]pentanamide is sourced from PubChem (CID 3955560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).