N-propan-2-yl-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide

C15H21N3O3 — CID 8989195

IUPACN-propan-2-yl-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide
SMILESCCCOc1cccc(/C=N\NC(=O)C(=O)NC(C)C)c1
InChIInChI=1S/C15H21N3O3/c1-4-8-21-13-7-5-6-12(9-13)10-16-18-15(20)14(19)17-11(2)3/h5-7,9-11H,4,8H2,1-3H3,(H,17,19)(H,18,20)/b16-10-
InChIKeyODGLSOOHGUVVKP-YBEGLDIGSA-N
MW291.35 g/mol
LogP1.45
Rot. Bonds6

About N-propan-2-yl-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide

N-propan-2-yl-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide (PubChem CID 8989195) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-propan-2-yl-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-propan-2-yl-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide
PubChem CID8989195
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-propan-2-yl-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide
SMILESCCCOc1cccc(/C=N\NC(=O)C(=O)NC(C)C)c1
InChIInChI=1S/C15H21N3O3/c1-4-8-21-13-7-5-6-12(9-13)10-16-18-15(20)14(19)17-11(2)3/h5-7,9-11H,4,8H2,1-3H3,(H,17,19)(H,18,20)/b16-10-
InChIKeyODGLSOOHGUVVKP-YBEGLDIGSA-N
XLogP1.45
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-methyl-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide
CID 8989199
N-propan-2-yl-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988898
N-(2,6-diethylphenyl)-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide
CID 8989212
N-(4-methylphenyl)-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide
CID 8989208
N-(3,4-dimethylphenyl)-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide
CID 8989189
N'-[(Z)-(3-methoxyphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 8901425
2-methyl-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
CID 19061075
4-ethoxy-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
CID 17246375
[(3-butoxyphenyl)methylideneamino]urea
CID 168531918
2-amino-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
CID 110340423
N'-[(Z)-[3-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 126164295
3,4-dichloro-N-[3-methyl-1-oxo-1-[2-[(3-propoxyphenyl)methylidene]hydrazinyl]butan-2-yl]benzamide
CID 3993564

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-propan-2-yl-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide (CID 8989195) is N-propan-2-yl-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-propan-2-yl-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-propan-2-yl-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide is CCCOc1cccc(/C=N\NC(=O)C(=O)NC(C)C)c1.
What is the InChIKey of N-propan-2-yl-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide?
The InChIKey is ODGLSOOHGUVVKP-YBEGLDIGSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-4-8-21-13-7-5-6-12(9-13)10-16-18-15(20)14(19)17-11(2)3/h5-7,9-11H,4,8H2,1-3H3,(H,17,19)(H,18,20)/b16-10-.
What are the key properties of N-propan-2-yl-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide?
N-propan-2-yl-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide has a molecular weight of 291.35 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 8989195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).