N'-[(4-hexoxyphenyl)methylideneamino]oxamide

C15H21N3O3 — CID 2590490

IUPACN'-[(4-hexoxyphenyl)methylideneamino]oxamide
SMILESCCCCCCOc1ccc(C=NNC(=O)C(N)=O)cc1
InChIInChI=1S/C15H21N3O3/c1-2-3-4-5-10-21-13-8-6-12(7-9-13)11-17-18-15(20)14(16)19/h6-9,11H,2-5,10H2,1H3,(H2,16,19)(H,18,20)
InChIKeyKFTYQEDYMJZPDN-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.58
Rot. Bonds8

About N'-[(4-hexoxyphenyl)methylideneamino]oxamide

N'-[(4-hexoxyphenyl)methylideneamino]oxamide (PubChem CID 2590490) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N'-[(4-hexoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN'-[(4-hexoxyphenyl)methylideneamino]oxamide
PubChem CID2590490
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN'-[(4-hexoxyphenyl)methylideneamino]oxamide
SMILESCCCCCCOc1ccc(C=NNC(=O)C(N)=O)cc1
InChIInChI=1S/C15H21N3O3/c1-2-3-4-5-10-21-13-8-6-12(7-9-13)11-17-18-15(20)14(16)19/h6-9,11H,2-5,10H2,1H3,(H2,16,19)(H,18,20)
InChIKeyKFTYQEDYMJZPDN-UHFFFAOYSA-N
XLogP1.58
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
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

[(E)-(4-heptoxyphenyl)methylideneamino]urea
CID 14915218
[(E)-(4-pentoxyphenyl)methylideneamino]urea
CID 6909458
[(4-dodecoxyphenyl)methylideneamino]thiourea
CID 75149769
N-[(Z)-(4-pentoxyphenyl)methylideneamino]dodecanamide
CID 6176857
N-[(Z)-(4-heptoxyphenyl)methylideneamino]octanamide
CID 6322467
N-[(Z)-(4-pentoxyphenyl)methylideneamino]acetamide
CID 9074224
N-[(4-butoxyphenyl)methylideneamino]dodecanamide
CID 3705573
2-[(E)-(4-butoxyphenyl)methylideneamino]-1-[(E)-(4-pentoxyphenyl)methylideneamino]guanidine
CID 172923446
[(Z)-(4-propoxyphenyl)methylideneamino]urea
CID 9017412
N'-[4-[(E)-2-(4-dodecoxyphenyl)ethenyl]phenyl]oxamide
CID 11503325
2-(4-ethylphenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide
CID 19190683
2-(4-chlorophenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide
CID 19190680

Frequently Asked Questions

What is the IUPAC name of N'-[(4-hexoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N'-[(4-hexoxyphenyl)methylideneamino]oxamide (CID 2590490) is N'-[(4-hexoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N'-[(4-hexoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N'-[(4-hexoxyphenyl)methylideneamino]oxamide is CCCCCCOc1ccc(C=NNC(=O)C(N)=O)cc1.
What is the InChIKey of N'-[(4-hexoxyphenyl)methylideneamino]oxamide?
The InChIKey is KFTYQEDYMJZPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-2-3-4-5-10-21-13-8-6-12(7-9-13)11-17-18-15(20)14(16)19/h6-9,11H,2-5,10H2,1H3,(H2,16,19)(H,18,20).
What are the key properties of N'-[(4-hexoxyphenyl)methylideneamino]oxamide?
N'-[(4-hexoxyphenyl)methylideneamino]oxamide has a molecular weight of 291.35 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-hexoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 2590490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).