N-[1-[2-[2-(4-chloro-2,6-dimethylphenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]acetamide

C18H26ClN3O4 — CID 17485573

IUPACN-[1-[2-[2-(4-chloro-2,6-dimethylphenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]acetamide
SMILESCC(=O)NC(C(=O)NNC(=O)C(C)Oc1c(C)cc(Cl)cc1C)C(C)C
InChIInChI=1S/C18H26ClN3O4/c1-9(2)15(20-13(6)23)18(25)22-21-17(24)12(5)26-16-10(3)7-14(19)8-11(16)4/h7-9,12,15H,1-6H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyFGZAJHVMKZZUBR-UHFFFAOYSA-N
MW383.88 g/mol
LogP2.03
Rot. Bonds6

About N-[1-[2-[2-(4-chloro-2,6-dimethylphenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]acetamide

N-[1-[2-[2-(4-chloro-2,6-dimethylphenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]acetamide (PubChem CID 17485573) has the molecular formula C18H26ClN3O4 and a molecular weight of 383.88 g/mol. Its IUPAC name is N-[1-[2-[2-(4-chloro-2,6-dimethylphenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-[2-(4-chloro-2,6-dimethylphenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]acetamide
PubChem CID17485573
Molecular FormulaC18H26ClN3O4
Molecular Weight383.88 g/mol
Exact Mass383.16
IUPAC NameN-[1-[2-[2-(4-chloro-2,6-dimethylphenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]acetamide
SMILESCC(=O)NC(C(=O)NNC(=O)C(C)Oc1c(C)cc(Cl)cc1C)C(C)C
InChIInChI=1S/C18H26ClN3O4/c1-9(2)15(20-13(6)23)18(25)22-21-17(24)12(5)26-16-10(3)7-14(19)8-11(16)4/h7-9,12,15H,1-6H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyFGZAJHVMKZZUBR-UHFFFAOYSA-N
XLogP2.03
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 52.03
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

[(2S)-1-[2-[(2S)-2-(4-chloro-2,6-dimethylphenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]urea
CID 34519988
1-[[(2R)-2-(4-chloro-2,6-dimethylphenoxy)propanoyl]amino]-3-(4-chlorophenyl)thiourea
CID 8770339
1-[[(2S)-2-(4-chloro-2,6-dimethylphenoxy)propanoyl]amino]-3-(4-fluorophenyl)thiourea
CID 8770344
N'-[2-(4-chloro-2,6-dimethylphenoxy)propanoyl]-2-methyl-5-methylsulfonylbenzohydrazide
CID 42910027
methyl 4-[[[(2R)-2-(4-chloro-2,6-dimethylphenoxy)propanoyl]amino]carbamothioylamino]butanoate
CID 9095187
4-[[[(2R)-2-(4-chloro-2,6-dimethylphenoxy)propanoyl]amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 41101544
(2S)-2-(4-chloro-2,6-dimethylphenoxy)-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide
CID 34519138
3,5-dichloro-N'-[2-(3,4-dimethylphenoxy)propanoyl]benzohydrazide
CID 17169474
(2S)-N-(3,5-dichlorophenyl)-2-(2,6-dimethylphenoxy)propanamide
CID 9297257
N-[(2S)-3-methyl-1-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]-1-oxobutan-2-yl]acetamide
CID 9469812
3,5-dimethyl-4-[1-oxo-1-(propan-2-ylamino)propan-2-yl]oxybenzoic acid
CID 43117984
methyl 5-[(2-acetamido-3-methylbutanoyl)amino]-2-chlorobenzoate
CID 134003465

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[2-(4-chloro-2,6-dimethylphenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]acetamide?
The IUPAC name of N-[1-[2-[2-(4-chloro-2,6-dimethylphenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]acetamide (CID 17485573) is N-[1-[2-[2-(4-chloro-2,6-dimethylphenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]acetamide.
What is the SMILES notation for N-[1-[2-[2-(4-chloro-2,6-dimethylphenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]acetamide?
The canonical SMILES for N-[1-[2-[2-(4-chloro-2,6-dimethylphenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]acetamide is CC(=O)NC(C(=O)NNC(=O)C(C)Oc1c(C)cc(Cl)cc1C)C(C)C.
What is the InChIKey of N-[1-[2-[2-(4-chloro-2,6-dimethylphenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]acetamide?
The InChIKey is FGZAJHVMKZZUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O4/c1-9(2)15(20-13(6)23)18(25)22-21-17(24)12(5)26-16-10(3)7-14(19)8-11(16)4/h7-9,12,15H,1-6H3,(H,20,23)(H,21,24)(H,22,25).
What are the key properties of N-[1-[2-[2-(4-chloro-2,6-dimethylphenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]acetamide?
N-[1-[2-[2-(4-chloro-2,6-dimethylphenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]acetamide has a molecular weight of 383.88 g/mol, XLogP of 2.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[2-(4-chloro-2,6-dimethylphenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]acetamide is sourced from PubChem (CID 17485573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).