N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide

C14H25N3O3 — CID 24554571

IUPACN-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
SMILESCC(C)CC(=O)NNC(=O)CNC(=O)C1CCCCC1
InChIInChI=1S/C14H25N3O3/c1-10(2)8-12(18)16-17-13(19)9-15-14(20)11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3,(H,15,20)(H,16,18)(H,17,19)
InChIKeyLWMWWANRODKETD-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.88
Rot. Bonds5

About N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide

N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 24554571) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
PubChem CID24554571
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC NameN-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
SMILESCC(C)CC(=O)NNC(=O)CNC(=O)C1CCCCC1
InChIInChI=1S/C14H25N3O3/c1-10(2)8-12(18)16-17-13(19)9-15-14(20)11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3,(H,15,20)(H,16,18)(H,17,19)
InChIKeyLWMWWANRODKETD-UHFFFAOYSA-N
XLogP0.88
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-methylbutylamino)-2-oxoethyl]cyclohexanecarboxamide
CID 112995138
N-(2-methylpropyl)cyclooctanecarboxamide
CID 65022959
N-(2-oxopropyl)cycloheptanecarboxamide
CID 64996887
N-[2-oxo-2-[2-(pentanoylcarbamothioyl)hydrazinyl]ethyl]cyclohexanecarboxamide
CID 4925619
N-[2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 4925419
N'-cyclohexyl-3-methylbutanehydrazide
CID 22613406
N-[2-(butan-2-ylamino)-2-oxoethyl]cyclobutanecarboxamide
CID 112990807
N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 4925439
ethyl (E)-4-[2-[2-(cyclohexanecarbonylamino)acetyl]hydrazinyl]-4-oxobut-2-enoate
CID 6232240
N-(3-methyl-2-oxobutyl)cyclobutanecarboxamide
CID 64996921
propan-2-yl 2-(cyclopentanecarbonylamino)acetate
CID 56808767
N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]cyclohexanecarboxamide
CID 112997174

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide (CID 24554571) is N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide is CC(C)CC(=O)NNC(=O)CNC(=O)C1CCCCC1.
What is the InChIKey of N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is LWMWWANRODKETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-10(2)8-12(18)16-17-13(19)9-15-14(20)11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3,(H,15,20)(H,16,18)(H,17,19).
What are the key properties of N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide?
N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 283.37 g/mol, XLogP of 0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 24554571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).