N-cyclopentyl-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]oxamide

C14H17N3O3 — CID 136863405

IUPACN-cyclopentyl-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]oxamide
SMILESO=C(N/N=C\c1ccc(O)cc1)C(=O)NC1CCCC1
InChIInChI=1S/C14H17N3O3/c18-12-7-5-10(6-8-12)9-15-17-14(20)13(19)16-11-3-1-2-4-11/h5-9,11,18H,1-4H2,(H,16,19)(H,17,20)/b15-9-
InChIKeyCDPVIWLZFDALRR-DHDCSXOGSA-N
MW275.31 g/mol
LogP0.90
Rot. Bonds3

About N-cyclopentyl-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]oxamide

N-cyclopentyl-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]oxamide (PubChem CID 136863405) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-cyclopentyl-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-cyclopentyl-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]oxamide
PubChem CID136863405
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-cyclopentyl-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]oxamide
SMILESO=C(N/N=C\c1ccc(O)cc1)C(=O)NC1CCCC1
InChIInChI=1S/C14H17N3O3/c18-12-7-5-10(6-8-12)9-15-17-14(20)13(19)16-11-3-1-2-4-11/h5-9,11,18H,1-4H2,(H,16,19)(H,17,20)/b15-9-
InChIKeyCDPVIWLZFDALRR-DHDCSXOGSA-N
XLogP0.90
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', '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'-[(Z)-(4-bromophenyl)methylideneamino]-N-cyclohexyloxamide
CID 94844327
N-cyclopentyl-N'-[(4-methylsulfanylphenyl)methylideneamino]oxamide
CID 5171062
N-cycloheptyl-N'-[(Z)-(3,4-dichlorophenyl)methylideneamino]oxamide
CID 6290483
N'-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-cyclohexyloxamide
CID 94863520
methyl 4-[(Z)-[[2-(cyclopropylamino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate
CID 8899268
N'-[(Z)-(3-bromophenyl)methylideneamino]-N-cyclohexyloxamide
CID 94844326
N-cycloheptyl-N'-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide
CID 4678168
N-cycloheptyl-N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide
CID 135607606
N-cyclopropyl-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988925
N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-methyloxamide
CID 135821314
N-tert-butyl-N'-[(E)-(4-hydroxyphenyl)methylideneamino]oxamide
CID 135558983
N-cycloheptyl-N'-[(Z)-furan-2-ylmethylideneamino]oxamide
CID 126011096

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-cyclopentyl-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]oxamide (CID 136863405) is N-cyclopentyl-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-cyclopentyl-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-cyclopentyl-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]oxamide is O=C(N/N=C\c1ccc(O)cc1)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]oxamide?
The InChIKey is CDPVIWLZFDALRR-DHDCSXOGSA-N. The full InChI is InChI=1S/C14H17N3O3/c18-12-7-5-10(6-8-12)9-15-17-14(20)13(19)16-11-3-1-2-4-11/h5-9,11,18H,1-4H2,(H,16,19)(H,17,20)/b15-9-.
What are the key properties of N-cyclopentyl-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]oxamide?
N-cyclopentyl-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]oxamide has a molecular weight of 275.31 g/mol, XLogP of 0.90, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 136863405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).