N'-[(Z)-1-(4-pentoxyphenyl)ethylideneamino]oxamide

C15H21N3O3 — CID 9120798

IUPACN'-[(Z)-1-(4-pentoxyphenyl)ethylideneamino]oxamide
SMILESCCCCCOc1ccc(/C(C)=N\NC(=O)C(N)=O)cc1
InChIInChI=1S/C15H21N3O3/c1-3-4-5-10-21-13-8-6-12(7-9-13)11(2)17-18-15(20)14(16)19/h6-9H,3-5,10H2,1-2H3,(H2,16,19)(H,18,20)/b17-11-
InChIKeyCWPXJNITZIYLDY-BOPFTXTBSA-N
MW291.35 g/mol
LogP1.58
Rot. Bonds7

About N'-[(Z)-1-(4-pentoxyphenyl)ethylideneamino]oxamide

N'-[(Z)-1-(4-pentoxyphenyl)ethylideneamino]oxamide (PubChem CID 9120798) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N'-[(Z)-1-(4-pentoxyphenyl)ethylideneamino]oxamide.

Molecular Properties

Compound NameN'-[(Z)-1-(4-pentoxyphenyl)ethylideneamino]oxamide
PubChem CID9120798
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN'-[(Z)-1-(4-pentoxyphenyl)ethylideneamino]oxamide
SMILESCCCCCOc1ccc(/C(C)=N\NC(=O)C(N)=O)cc1
InChIInChI=1S/C15H21N3O3/c1-3-4-5-10-21-13-8-6-12(7-9-13)11(2)17-18-15(20)14(16)19/h6-9H,3-5,10H2,1-2H3,(H2,16,19)(H,18,20)/b17-11-
InChIKeyCWPXJNITZIYLDY-BOPFTXTBSA-N
XLogP1.58
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

[(Z)-1-(4-nonoxyphenyl)ethylideneamino]thiourea
CID 6242832
N'-[(4-hexoxyphenyl)methylideneamino]oxamide
CID 2590490
[1-(4-propoxyphenyl)ethylideneamino]thiourea
CID 4529421
N'-[(Z)-1-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]ethylideneamino]oxamide
CID 9120802
N-[1-(4-ethoxyphenyl)ethylideneamino]heptanamide
CID 3694468
N'-[(E)-1-(4-hydroxyphenyl)ethylideneamino]oxamide
CID 135765562
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide
CID 6381025
2-(2-oxo-1-pyridinyl)-N-[(Z)-1-(4-pentoxyphenyl)ethylideneamino]acetamide
CID 8884023
5-bromo-2-hydroxy-N-[(Z)-1-(4-nonoxyphenyl)ethylideneamino]benzamide
CID 5340622
4-pentoxybenzohydrazide
CID 2727702
2-[1-(4-decoxyphenyl)ethylideneamino]guanidine;hydrochloride
CID 131880282
2-(4-methyl-1,3-thiazol-2-yl)-N-[(Z)-1-(4-pentoxyphenyl)ethylideneamino]acetamide
CID 9029885

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-1-(4-pentoxyphenyl)ethylideneamino]oxamide?
The IUPAC name of N'-[(Z)-1-(4-pentoxyphenyl)ethylideneamino]oxamide (CID 9120798) is N'-[(Z)-1-(4-pentoxyphenyl)ethylideneamino]oxamide.
What is the SMILES notation for N'-[(Z)-1-(4-pentoxyphenyl)ethylideneamino]oxamide?
The canonical SMILES for N'-[(Z)-1-(4-pentoxyphenyl)ethylideneamino]oxamide is CCCCCOc1ccc(/C(C)=N\NC(=O)C(N)=O)cc1.
What is the InChIKey of N'-[(Z)-1-(4-pentoxyphenyl)ethylideneamino]oxamide?
The InChIKey is CWPXJNITZIYLDY-BOPFTXTBSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-3-4-5-10-21-13-8-6-12(7-9-13)11(2)17-18-15(20)14(16)19/h6-9H,3-5,10H2,1-2H3,(H2,16,19)(H,18,20)/b17-11-.
What are the key properties of N'-[(Z)-1-(4-pentoxyphenyl)ethylideneamino]oxamide?
N'-[(Z)-1-(4-pentoxyphenyl)ethylideneamino]oxamide has a molecular weight of 291.35 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1-(4-pentoxyphenyl)ethylideneamino]oxamide is sourced from PubChem (CID 9120798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).