N-[[4-(cycloheptylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide

C16H23N3O3 — CID 4307620

IUPACN-[[4-(cycloheptylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide
SMILESCC(CC(=O)NC1CCCCCC1)=NNC(=O)c1ccco1
InChIInChI=1S/C16H23N3O3/c1-12(18-19-16(21)14-9-6-10-22-14)11-15(20)17-13-7-4-2-3-5-8-13/h6,9-10,13H,2-5,7-8,11H2,1H3,(H,17,20)(H,19,21)
InChIKeyGFFTZFVKCSWIPE-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.61
Rot. Bonds5

About N-[[4-(cycloheptylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide

N-[[4-(cycloheptylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide (PubChem CID 4307620) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[[4-(cycloheptylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(cycloheptylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide
PubChem CID4307620
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-[[4-(cycloheptylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide
SMILESCC(CC(=O)NC1CCCCCC1)=NNC(=O)c1ccco1
InChIInChI=1S/C16H23N3O3/c1-12(18-19-16(21)14-9-6-10-22-14)11-15(20)17-13-7-4-2-3-5-8-13/h6,9-10,13H,2-5,7-8,11H2,1H3,(H,17,20)(H,19,21)
InChIKeyGFFTZFVKCSWIPE-UHFFFAOYSA-N
XLogP2.61
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclooctylfuran-2-carboxamide
CID 790432
N-[(Z)-[4-(tert-butylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide
CID 6369739
N-[(E)-[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]-4-iodobenzamide
CID 171981064
N-[[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]pyridine-2-carboxamide
CID 3108542
N-[[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide
CID 3101336
4-acetamido-N-[(E)-[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]benzamide
CID 6088595
N-cyclopentyl-4-(furan-2-yl)-4-oxobutanamide
CID 110389813
N-[(E)-[4-(2-chloroanilino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide
CID 5344897
N-[[4-(cyclooctylamino)-4-oxobutan-2-ylidene]amino]-3,5-dimethoxybenzamide
CID 2867599
N-[(E)-[4-(cycloheptylamino)-4-oxobutan-2-ylidene]amino]cyclohexanecarboxamide
CID 17369175
[2-(cyclohexylamino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7880332
N-[[4-(5-chloro-2,4-dimethoxyanilino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide
CID 4216344

Frequently Asked Questions

What is the IUPAC name of N-[[4-(cycloheptylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide?
The IUPAC name of N-[[4-(cycloheptylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide (CID 4307620) is N-[[4-(cycloheptylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide.
What is the SMILES notation for N-[[4-(cycloheptylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide?
The canonical SMILES for N-[[4-(cycloheptylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide is CC(CC(=O)NC1CCCCCC1)=NNC(=O)c1ccco1.
What is the InChIKey of N-[[4-(cycloheptylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide?
The InChIKey is GFFTZFVKCSWIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-12(18-19-16(21)14-9-6-10-22-14)11-15(20)17-13-7-4-2-3-5-8-13/h6,9-10,13H,2-5,7-8,11H2,1H3,(H,17,20)(H,19,21).
What are the key properties of N-[[4-(cycloheptylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide?
N-[[4-(cycloheptylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cycloheptylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide is sourced from PubChem (CID 4307620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).