N-[1-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-1-oxopropan-2-yl]adamantane-1-carboxamide

C19H24N4O5 — CID 6385516

IUPACN-[1-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-1-oxopropan-2-yl]adamantane-1-carboxamide
SMILESCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N/N=C\c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C19H24N4O5/c1-11(17(24)22-20-10-15-2-3-16(28-15)23(26)27)21-18(25)19-7-12-4-13(8-19)6-14(5-12)9-19/h2-3,10-14H,4-9H2,1H3,(H,21,25)(H,22,24)/b20-10-
InChIKeyKIYSOOSGCKJAFD-JMIUGGIZSA-N
MW388.42 g/mol
LogP2.36
Rot. Bonds6

About N-[1-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-1-oxopropan-2-yl]adamantane-1-carboxamide

N-[1-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-1-oxopropan-2-yl]adamantane-1-carboxamide (PubChem CID 6385516) has the molecular formula C19H24N4O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is N-[1-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-1-oxopropan-2-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[1-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-1-oxopropan-2-yl]adamantane-1-carboxamide
PubChem CID6385516
Molecular FormulaC19H24N4O5
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC NameN-[1-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-1-oxopropan-2-yl]adamantane-1-carboxamide
SMILESCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N/N=C\c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C19H24N4O5/c1-11(17(24)22-20-10-15-2-3-16(28-15)23(26)27)21-18(25)19-7-12-4-13(8-19)6-14(5-12)9-19/h2-3,10-14H,4-9H2,1H3,(H,21,25)(H,22,24)/b20-10-
InChIKeyKIYSOOSGCKJAFD-JMIUGGIZSA-N
XLogP2.36
TPSA126.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5R,7S)-3-cyclopentyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]adamantane-1-carboxamide
CID 177490719
tert-butyl N-[(2S)-4-methyl-1-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-1-oxopentan-2-yl]carbamate
CID 56933867
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]cyclohexanecarboxamide
CID 6875630
N,N-dimethylformamide;[(E)-(5-nitrofuran-2-yl)methylideneamino]urea
CID 174920742
2-naphthalen-2-yloxy-N-[(5-nitrofuran-2-yl)methylideneamino]propanamide
CID 3920293
(3S,6R)-N-[(Z)-(4-nitrophenyl)methylideneamino]tricyclo[4.3.1.13,8]undecane-1-carboxamide
CID 6990543
N-[(1R)-1-(1-adamantyl)ethyl]-5-nitrofuran-2-carboxamide
CID 7269076
[(E)-(5-nitrofuran-2-yl)methylideneamino]urea;phosphoric acid
CID 139205306
N-[(2R)-1-hydrazinyl-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 7090487
tert-butyl N-[(E)-(5-nitrofuran-2-yl)methylideneamino]carbamate
CID 6036448
N-[1-(4-methylanilino)-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 5229641
N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 569827

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-1-oxopropan-2-yl]adamantane-1-carboxamide?
The IUPAC name of N-[1-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-1-oxopropan-2-yl]adamantane-1-carboxamide (CID 6385516) is N-[1-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-1-oxopropan-2-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-[1-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-1-oxopropan-2-yl]adamantane-1-carboxamide?
The canonical SMILES for N-[1-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-1-oxopropan-2-yl]adamantane-1-carboxamide is CC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N/N=C\c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-[1-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-1-oxopropan-2-yl]adamantane-1-carboxamide?
The InChIKey is KIYSOOSGCKJAFD-JMIUGGIZSA-N. The full InChI is InChI=1S/C19H24N4O5/c1-11(17(24)22-20-10-15-2-3-16(28-15)23(26)27)21-18(25)19-7-12-4-13(8-19)6-14(5-12)9-19/h2-3,10-14H,4-9H2,1H3,(H,21,25)(H,22,24)/b20-10-.
What are the key properties of N-[1-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-1-oxopropan-2-yl]adamantane-1-carboxamide?
N-[1-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-1-oxopropan-2-yl]adamantane-1-carboxamide has a molecular weight of 388.42 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-1-oxopropan-2-yl]adamantane-1-carboxamide is sourced from PubChem (CID 6385516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).