N-[(E)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]cyclohexanecarboxamide

C16H23N3O3 — CID 6270943

IUPACN-[(E)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]cyclohexanecarboxamide
SMILESC/C(CC(=O)NCc1ccco1)=N\NC(=O)C1CCCCC1
InChIInChI=1S/C16H23N3O3/c1-12(10-15(20)17-11-14-8-5-9-22-14)18-19-16(21)13-6-3-2-4-7-13/h5,8-9,13H,2-4,6-7,10-11H2,1H3,(H,17,20)(H,19,21)/b18-12+
InChIKeyKMQUHKZMJQWHRP-LDADJPATSA-N
MW305.38 g/mol
LogP2.36
Rot. Bonds6

About N-[(E)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]cyclohexanecarboxamide

N-[(E)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]cyclohexanecarboxamide (PubChem CID 6270943) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[(E)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(E)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]cyclohexanecarboxamide
PubChem CID6270943
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-[(E)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]cyclohexanecarboxamide
SMILESC/C(CC(=O)NCc1ccco1)=N\NC(=O)C1CCCCC1
InChIInChI=1S/C16H23N3O3/c1-12(10-15(20)17-11-14-8-5-9-22-14)18-19-16(21)13-6-3-2-4-7-13/h5,8-9,13H,2-4,6-7,10-11H2,1H3,(H,17,20)(H,19,21)/b18-12+
InChIKeyKMQUHKZMJQWHRP-LDADJPATSA-N
XLogP2.36
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.36
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

(3Z)-3-(carbamoylhydrazinylidene)-N-(furan-2-ylmethyl)butanamide
CID 6371240
N-[[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide
CID 3101336
(3Z)-3-(formylhydrazinylidene)-N-(furan-2-ylmethyl)butanamide
CID 6378047
N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 94216559
N'-[(Z)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-N-(2-methylpropyl)oxamide
CID 6376560
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]cyclohexanecarboxamide
CID 35334881
N-[(Z)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-3,5-dimethoxybenzamide
CID 6379341
trans-(1S,3S)-1-N,3-N-bis(furan-2-ylmethyl)cyclohexane-1,3-dicarboxamide
CID 94798892
2-(cyclohexylamino)-N-(furan-2-ylmethyl)acetamide
CID 54816411
N'-[[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-N-(3-methylphenyl)oxamide
CID 3101332
(3Z)-3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]-N-(furan-2-ylmethyl)butanamide
CID 6283145
3-(azepan-1-yl)-N-(furan-2-ylmethyl)-3-oxopropanamide
CID 108945088

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]cyclohexanecarboxamide?
The IUPAC name of N-[(E)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]cyclohexanecarboxamide (CID 6270943) is N-[(E)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]cyclohexanecarboxamide.
What is the SMILES notation for N-[(E)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]cyclohexanecarboxamide?
The canonical SMILES for N-[(E)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]cyclohexanecarboxamide is C/C(CC(=O)NCc1ccco1)=N\NC(=O)C1CCCCC1.
What is the InChIKey of N-[(E)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]cyclohexanecarboxamide?
The InChIKey is KMQUHKZMJQWHRP-LDADJPATSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-12(10-15(20)17-11-14-8-5-9-22-14)18-19-16(21)13-6-3-2-4-7-13/h5,8-9,13H,2-4,6-7,10-11H2,1H3,(H,17,20)(H,19,21)/b18-12+.
What are the key properties of N-[(E)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]cyclohexanecarboxamide?
N-[(E)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]cyclohexanecarboxamide has a molecular weight of 305.38 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]cyclohexanecarboxamide is sourced from PubChem (CID 6270943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).