N-[2-[2-[1-(4-aminophenyl)ethylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide

C17H24N4O2 — CID 4925186

IUPACN-[2-[2-[1-(4-aminophenyl)ethylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
SMILESCC(=NNC(=O)CNC(=O)C1CCCCC1)c1ccc(N)cc1
InChIInChI=1S/C17H24N4O2/c1-12(13-7-9-15(18)10-8-13)20-21-16(22)11-19-17(23)14-5-3-2-4-6-14/h7-10,14H,2-6,11,18H2,1H3,(H,19,23)(H,21,22)
InChIKeyWMYJZWFEESTOBV-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.81
Rot. Bonds5

About N-[2-[2-[1-(4-aminophenyl)ethylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide

N-[2-[2-[1-(4-aminophenyl)ethylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 4925186) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[2-[2-[1-(4-aminophenyl)ethylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-[1-(4-aminophenyl)ethylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
PubChem CID4925186
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC NameN-[2-[2-[1-(4-aminophenyl)ethylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
SMILESCC(=NNC(=O)CNC(=O)C1CCCCC1)c1ccc(N)cc1
InChIInChI=1S/C17H24N4O2/c1-12(13-7-9-15(18)10-8-13)20-21-16(22)11-19-17(23)14-5-3-2-4-6-14/h7-10,14H,2-6,11,18H2,1H3,(H,19,23)(H,21,22)
InChIKeyWMYJZWFEESTOBV-UHFFFAOYSA-N
XLogP1.81
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anil(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 4925196
N,N'-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]butanediamide
CID 3344683
N-[(E)-1-(4-chlorophenyl)ethylideneamino]cyclopentanecarboxamide
CID 25237608
N,N'-bis[1-(4-aminophenyl)ethylideneamino]octanediamide
CID 4586480
1-N,4-N-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzene-1,4-dicarboxamide
CID 3422993
N-[4-[N-(dodecanoylamino)-C-methylcarbonimidoyl]phenyl]cyclohexanecarboxamide
CID 5223518
N-[1-(4-butylphenyl)ethylideneamino]cyclopentanecarboxamide
CID 24818445
1-N,4-N-bis[1-(4-aminophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 4998105
N-[2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 4925419
N-(1-naphthalen-2-ylethylideneamino)cyclohexanecarboxamide
CID 832851
N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(3-chloro-2-methylanilino)acetamide
CID 5427988
N-[(E)-1-(4-aminophenyl)ethylideneamino]decanamide
CID 6177715

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[1-(4-aminophenyl)ethylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[2-[1-(4-aminophenyl)ethylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide (CID 4925186) is N-[2-[2-[1-(4-aminophenyl)ethylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[2-[1-(4-aminophenyl)ethylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[2-[1-(4-aminophenyl)ethylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide is CC(=NNC(=O)CNC(=O)C1CCCCC1)c1ccc(N)cc1.
What is the InChIKey of N-[2-[2-[1-(4-aminophenyl)ethylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is WMYJZWFEESTOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12(13-7-9-15(18)10-8-13)20-21-16(22)11-19-17(23)14-5-3-2-4-6-14/h7-10,14H,2-6,11,18H2,1H3,(H,19,23)(H,21,22).
What are the key properties of N-[2-[2-[1-(4-aminophenyl)ethylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide?
N-[2-[2-[1-(4-aminophenyl)ethylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 316.40 g/mol, XLogP of 1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[1-(4-aminophenyl)ethylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 4925186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).