N-tert-butyl-2-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-2-oxoacetamide

C15H21N3O4 — CID 3108520

IUPACN-tert-butyl-2-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-2-oxoacetamide
SMILESCc1ccc(OCC(=O)NNC(=O)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C15H21N3O4/c1-10-5-7-11(8-6-10)22-9-12(19)17-18-14(21)13(20)16-15(2,3)4/h5-8H,9H2,1-4H3,(H,16,20)(H,17,19)(H,18,21)
InChIKeyKOJFJGUUPRNXIV-UHFFFAOYSA-N
MW307.35 g/mol
LogP0.44
Rot. Bonds3

About N-tert-butyl-2-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-2-oxoacetamide

N-tert-butyl-2-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-2-oxoacetamide (PubChem CID 3108520) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-tert-butyl-2-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-2-oxoacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-2-oxoacetamide
PubChem CID3108520
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC NameN-tert-butyl-2-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-2-oxoacetamide
SMILESCc1ccc(OCC(=O)NNC(=O)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C15H21N3O4/c1-10-5-7-11(8-6-10)22-9-12(19)17-18-14(21)13(20)16-15(2,3)4/h5-8H,9H2,1-4H3,(H,16,20)(H,17,19)(H,18,21)
InChIKeyKOJFJGUUPRNXIV-UHFFFAOYSA-N
XLogP0.44
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-methylphenoxy)acetyl]propanehydrazide
CID 4635692
N-tert-butyl-2-[[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]acetamide
CID 24633483
N-(2-methylbutan-2-yl)-2-(4-methylphenoxy)acetamide
CID 50944675
[[2-(4-methylphenoxy)acetyl]amino]thiourea
CID 11020991
N-tert-butyl-N'-[(Z)-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 94832282
N-tert-butyl-2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoacetamide
CID 3108505
N'-[2-(4-methylphenoxy)acetyl]-2-phenylacetohydrazide
CID 968398
4-methyl-4-[[2-(4-methylphenoxy)acetyl]amino]pentanoic acid
CID 62041332
ethyl 4-[2-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 4932618
N'-[2-(4-ethylphenoxy)acetyl]-2-(4-methylphenyl)acetohydrazide
CID 9324281
1-tert-butyl-3-[[2-(4-chlorophenoxy)acetyl]amino]thiourea
CID 9425491
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-2-oxoacetamide?
The IUPAC name of N-tert-butyl-2-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-2-oxoacetamide (CID 3108520) is N-tert-butyl-2-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-2-oxoacetamide.
What is the SMILES notation for N-tert-butyl-2-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-2-oxoacetamide?
The canonical SMILES for N-tert-butyl-2-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-2-oxoacetamide is Cc1ccc(OCC(=O)NNC(=O)C(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-2-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-2-oxoacetamide?
The InChIKey is KOJFJGUUPRNXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-10-5-7-11(8-6-10)22-9-12(19)17-18-14(21)13(20)16-15(2,3)4/h5-8H,9H2,1-4H3,(H,16,20)(H,17,19)(H,18,21).
What are the key properties of N-tert-butyl-2-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-2-oxoacetamide?
N-tert-butyl-2-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-2-oxoacetamide has a molecular weight of 307.35 g/mol, XLogP of 0.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-2-oxoacetamide is sourced from PubChem (CID 3108520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).