N-[2-[2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide

C18H23N3O3 — CID 4258491

IUPACN-[2-[2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide
SMILESO=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)NN=Cc1ccco1
InChIInChI=1S/C18H23N3O3/c22-16(21-20-10-15-2-1-3-24-15)11-19-17(23)18-7-12-4-13(8-18)6-14(5-12)9-18/h1-3,10,12-14H,4-9,11H2,(H,19,23)(H,21,22)
InChIKeyCKHRCMSRBXQYTC-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.06
Rot. Bonds5

About N-[2-[2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide

N-[2-[2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide (PubChem CID 4258491) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[2-[2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide
PubChem CID4258491
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[2-[2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide
SMILESO=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)NN=Cc1ccco1
InChIInChI=1S/C18H23N3O3/c22-16(21-20-10-15-2-1-3-24-15)11-19-17(23)18-7-12-4-13(8-18)6-14(5-12)9-18/h1-3,10,12-14H,4-9,11H2,(H,19,23)(H,21,22)
InChIKeyCKHRCMSRBXQYTC-UHFFFAOYSA-N
XLogP2.06
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.06
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

(E)-N-[(E)-furan-2-ylmethylideneamino]-N'-[(Z)-furan-2-ylmethylideneamino]hex-3-enediamide
CID 45050499
N-[2-[2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]dodecanamide
CID 5101537
2-anilino-N-(furan-2-ylmethylideneamino)acetamide
CID 3757182
N-[(E)-furan-2-ylmethylideneamino]-2-[[2-(tritylamino)acetyl]amino]acetamide
CID 56691183
[(E)-furan-2-ylmethylideneamino]carbamic acid
CID 23219991
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 7190863
2-(4-fluoroanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 5404241
2-(4-bromoanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 5404211
N-(furan-2-ylmethylideneamino)spiro[2.3]hexane-2-carboxamide
CID 2828440
3-fluoro-N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide
CID 5333730
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide
CID 38910053
2-(1-adamantyl)-N-[[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide
CID 129439178

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-[2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide (CID 4258491) is N-[2-[2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-[2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-[2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide is O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)NN=Cc1ccco1.
What is the InChIKey of N-[2-[2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide?
The InChIKey is CKHRCMSRBXQYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c22-16(21-20-10-15-2-1-3-24-15)11-19-17(23)18-7-12-4-13(8-18)6-14(5-12)9-18/h1-3,10,12-14H,4-9,11H2,(H,19,23)(H,21,22).
What are the key properties of N-[2-[2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide?
N-[2-[2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide is sourced from PubChem (CID 4258491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).