N'-[(Z)-(5-methylfuran-2-yl)methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide

C14H21N3O4 — CID 94848685

IUPACN'-[(Z)-(5-methylfuran-2-yl)methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide
SMILESCc1ccc(/C=N\NC(=O)C(=O)NCCCOC(C)C)o1
InChIInChI=1S/C14H21N3O4/c1-10(2)20-8-4-7-15-13(18)14(19)17-16-9-12-6-5-11(3)21-12/h5-6,9-10H,4,7-8H2,1-3H3,(H,15,18)(H,17,19)/b16-9-
InChIKeyRIYNOAXYMXTXLJ-SXGWCWSVSA-N
MW295.34 g/mol
LogP0.97
Rot. Bonds7

About N'-[(Z)-(5-methylfuran-2-yl)methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide

N'-[(Z)-(5-methylfuran-2-yl)methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide (PubChem CID 94848685) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is N'-[(Z)-(5-methylfuran-2-yl)methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-(5-methylfuran-2-yl)methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide
PubChem CID94848685
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC NameN'-[(Z)-(5-methylfuran-2-yl)methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide
SMILESCc1ccc(/C=N\NC(=O)C(=O)NCCCOC(C)C)o1
InChIInChI=1S/C14H21N3O4/c1-10(2)20-8-4-7-15-13(18)14(19)17-16-9-12-6-5-11(3)21-12/h5-6,9-10H,4,7-8H2,1-3H3,(H,15,18)(H,17,19)/b16-9-
InChIKeyRIYNOAXYMXTXLJ-SXGWCWSVSA-N
XLogP0.97
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-(3-propan-2-yloxypropyl)-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 8989348
N-(furan-2-ylmethyl)-N'-[(5-methylfuran-2-yl)methylideneamino]oxamide
CID 5237010
1,3-bis[(E)-(5-methylfuran-2-yl)methylideneamino]urea
CID 177430726
N'-[(Z)-[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide
CID 126266800
N-[(5-methylfuran-2-yl)methylideneamino]decanamide
CID 4150457
N-(3-methoxypropyl)-N'-[(E)-(4-methylphenyl)methylideneamino]oxamide
CID 46741726
N'-[(Z)-[4-(2-amino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide
CID 8990254
4-(3-methylbutoxy)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 4927427
N-[2-[2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide
CID 5202997
4-methoxy-N-[2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 7985051
N'-[(4-methylphenyl)methyl]-N-(3-propan-2-yloxypropyl)oxamide
CID 3126766
N'-[(Z)-[2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide
CID 126271817

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(5-methylfuran-2-yl)methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide?
The IUPAC name of N'-[(Z)-(5-methylfuran-2-yl)methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide (CID 94848685) is N'-[(Z)-(5-methylfuran-2-yl)methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide.
What is the SMILES notation for N'-[(Z)-(5-methylfuran-2-yl)methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide?
The canonical SMILES for N'-[(Z)-(5-methylfuran-2-yl)methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide is Cc1ccc(/C=N\NC(=O)C(=O)NCCCOC(C)C)o1.
What is the InChIKey of N'-[(Z)-(5-methylfuran-2-yl)methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide?
The InChIKey is RIYNOAXYMXTXLJ-SXGWCWSVSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-10(2)20-8-4-7-15-13(18)14(19)17-16-9-12-6-5-11(3)21-12/h5-6,9-10H,4,7-8H2,1-3H3,(H,15,18)(H,17,19)/b16-9-.
What are the key properties of N'-[(Z)-(5-methylfuran-2-yl)methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide?
N'-[(Z)-(5-methylfuran-2-yl)methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide has a molecular weight of 295.34 g/mol, XLogP of 0.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(5-methylfuran-2-yl)methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide is sourced from PubChem (CID 94848685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).