N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide

C20H29N3O3 — CID 4925439

IUPACN-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
SMILESCC(C)(C)c1ccc(C(=O)NNC(=O)CNC(=O)C2CCCCC2)cc1
InChIInChI=1S/C20H29N3O3/c1-20(2,3)16-11-9-15(10-12-16)19(26)23-22-17(24)13-21-18(25)14-7-5-4-6-8-14/h9-12,14H,4-8,13H2,1-3H3,(H,21,25)(H,22,24)(H,23,26)
InChIKeyAHYJFYYWIOSCNY-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.44
Rot. Bonds4

About N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide

N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 4925439) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
PubChem CID4925439
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
SMILESCC(C)(C)c1ccc(C(=O)NNC(=O)CNC(=O)C2CCCCC2)cc1
InChIInChI=1S/C20H29N3O3/c1-20(2,3)16-11-9-15(10-12-16)19(26)23-22-17(24)13-21-18(25)14-7-5-4-6-8-14/h9-12,14H,4-8,13H2,1-3H3,(H,21,25)(H,22,24)(H,23,26)
InChIKeyAHYJFYYWIOSCNY-UHFFFAOYSA-N
XLogP2.44
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.44
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-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 4925419
N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]cyclopentanecarboxamide
CID 46450538
N-[2-(4-tert-butylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 110687174
N-[[[2-(cyclohexanecarbonylamino)acetyl]amino]carbamothioyl]-4-phenylbenzamide
CID 4778855
N-[2-[2-(4-butoxy-3-methoxybenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 24553492
4-[[[2-(cyclohexanecarbonylamino)acetyl]amino]methyl]benzoic acid
CID 45423811
4-tert-butyl-N-[2-[4-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide
CID 26058928
N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 24554571
N-[4-[[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide
CID 17350317
N-[2-[2-(2-nitrobenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 4925375
1-N',6-N'-bis(4-tert-butylbenzoyl)hexanedihydrazide
CID 4209045
N-[2-(4-tert-butylanilino)-2-oxoethyl]oxane-4-carboxamide
CID 112997593

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide (CID 4925439) is N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide is CC(C)(C)c1ccc(C(=O)NNC(=O)CNC(=O)C2CCCCC2)cc1.
What is the InChIKey of N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is AHYJFYYWIOSCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-20(2,3)16-11-9-15(10-12-16)19(26)23-22-17(24)13-21-18(25)14-7-5-4-6-8-14/h9-12,14H,4-8,13H2,1-3H3,(H,21,25)(H,22,24)(H,23,26).
What are the key properties of N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide?
N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 359.47 g/mol, XLogP of 2.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 4925439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).