3-methyl-N-[(5-morpholin-4-ylfuran-2-yl)methylideneamino]butanamide

C14H21N3O3 — CID 1278423

IUPAC3-methyl-N-[(5-morpholin-4-ylfuran-2-yl)methylideneamino]butanamide
SMILESCC(C)CC(=O)NN=Cc1ccc(N2CCOCC2)o1
InChIInChI=1S/C14H21N3O3/c1-11(2)9-13(18)16-15-10-12-3-4-14(20-12)17-5-7-19-8-6-17/h3-4,10-11H,5-9H2,1-2H3,(H,16,18)
InChIKeyRDOHTCMLQUNHDZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.61
Rot. Bonds5

About 3-methyl-N-[(5-morpholin-4-ylfuran-2-yl)methylideneamino]butanamide

3-methyl-N-[(5-morpholin-4-ylfuran-2-yl)methylideneamino]butanamide (PubChem CID 1278423) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-methyl-N-[(5-morpholin-4-ylfuran-2-yl)methylideneamino]butanamide.

Molecular Properties

Compound Name3-methyl-N-[(5-morpholin-4-ylfuran-2-yl)methylideneamino]butanamide
PubChem CID1278423
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name3-methyl-N-[(5-morpholin-4-ylfuran-2-yl)methylideneamino]butanamide
SMILESCC(C)CC(=O)NN=Cc1ccc(N2CCOCC2)o1
InChIInChI=1S/C14H21N3O3/c1-11(2)9-13(18)16-15-10-12-3-4-14(20-12)17-5-7-19-8-6-17/h3-4,10-11H,5-9H2,1-2H3,(H,16,18)
InChIKeyRDOHTCMLQUNHDZ-UHFFFAOYSA-N
XLogP1.61
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_furan_A(15)', '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

2-methoxy-N-[(Z)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]benzamide
CID 126015567
3-chloro-N-[(Z)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]benzamide
CID 126021065
N-[(Z)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]-2-nitrobenzamide
CID 5410715
5-ethoxy-N-[(E)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 126193674
2-(4-nitrophenyl)-N-[(Z)-(5-piperidin-1-ylfuran-2-yl)methylideneamino]acetamide
CID 6138888
2-(4-nitrophenyl)-N-[(5-piperidin-1-ylfuran-2-yl)methylideneamino]acetamide
CID 4519777
N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-3-morpholin-4-ylpropanamide
CID 5439570
2-chloro-N-[3-methyl-1-oxo-1-[2-[(5-pyrrolidin-1-ylfuran-2-yl)methylidene]hydrazinyl]butan-2-yl]benzamide
CID 4275693
3,4-dichloro-N-[3-methyl-1-oxo-1-[2-[(5-piperidin-1-ylfuran-2-yl)methylidene]hydrazinyl]butan-2-yl]benzamide
CID 4009429
3,5-dimethoxy-N-[(5-piperidin-1-ylfuran-2-yl)methylideneamino]benzamide
CID 4291595
(Z)-1-(5-morpholin-4-ylfuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine
CID 21381413
N-(3-chloro-4-morpholin-4-ylphenyl)-3-methylbutanamide
CID 960696

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(5-morpholin-4-ylfuran-2-yl)methylideneamino]butanamide?
The IUPAC name of 3-methyl-N-[(5-morpholin-4-ylfuran-2-yl)methylideneamino]butanamide (CID 1278423) is 3-methyl-N-[(5-morpholin-4-ylfuran-2-yl)methylideneamino]butanamide.
What is the SMILES notation for 3-methyl-N-[(5-morpholin-4-ylfuran-2-yl)methylideneamino]butanamide?
The canonical SMILES for 3-methyl-N-[(5-morpholin-4-ylfuran-2-yl)methylideneamino]butanamide is CC(C)CC(=O)NN=Cc1ccc(N2CCOCC2)o1.
What is the InChIKey of 3-methyl-N-[(5-morpholin-4-ylfuran-2-yl)methylideneamino]butanamide?
The InChIKey is RDOHTCMLQUNHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-11(2)9-13(18)16-15-10-12-3-4-14(20-12)17-5-7-19-8-6-17/h3-4,10-11H,5-9H2,1-2H3,(H,16,18).
What are the key properties of 3-methyl-N-[(5-morpholin-4-ylfuran-2-yl)methylideneamino]butanamide?
3-methyl-N-[(5-morpholin-4-ylfuran-2-yl)methylideneamino]butanamide has a molecular weight of 279.34 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(5-morpholin-4-ylfuran-2-yl)methylideneamino]butanamide is sourced from PubChem (CID 1278423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).