N-(1-adamantylmethyl)-5-nitrofuran-2-carboxamide

C16H20N2O4 — CID 17145977

IUPACN-(1-adamantylmethyl)-5-nitrofuran-2-carboxamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C16H20N2O4/c19-15(13-1-2-14(22-13)18(20)21)17-9-16-6-10-3-11(7-16)5-12(4-10)8-16/h1-2,10-12H,3-9H2,(H,17,19)
InChIKeyWLCJGPKMNIWREY-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.13
Rot. Bonds4

About N-(1-adamantylmethyl)-5-nitrofuran-2-carboxamide

N-(1-adamantylmethyl)-5-nitrofuran-2-carboxamide (PubChem CID 17145977) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-5-nitrofuran-2-carboxamide
PubChem CID17145977
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC NameN-(1-adamantylmethyl)-5-nitrofuran-2-carboxamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C16H20N2O4/c19-15(13-1-2-14(22-13)18(20)21)17-9-16-6-10-3-11(7-16)5-12(4-10)8-16/h1-2,10-12H,3-9H2,(H,17,19)
InChIKeyWLCJGPKMNIWREY-UHFFFAOYSA-N
XLogP3.13
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-(1-adamantyl)ethyl]-5-nitrofuran-2-carboxamide
CID 7269076
N-(1-adamantylmethyl)-5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
CID 17020933
2-[(5-nitrofuran-2-carbonyl)amino]acetic acid
CID 2079408
N-(2-chloroethyl)-5-nitrofuran-2-carboxamide
CID 114294133
N-(1-adamantylmethyl)-1,2-oxazole-5-carboxamide
CID 143497665
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-nitrofuran-2-carboxamide
CID 120943472
N-[2-(methylamino)ethyl]-5-nitrofuran-2-carboxamide
CID 62658342
N-[(4-chlorophenyl)methyl]-5-nitrofuran-2-carboxamide
CID 17146050
4-[[(5-nitrofuran-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525902
N-(1-adamantylmethyl)-2-iodo-5-nitrobenzamide
CID 55684901
N-(3-aminopropyl)-5-nitrofuran-2-carboxamide
CID 24697621
N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-5-nitrofuran-2-carboxamide
CID 94116270

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-5-nitrofuran-2-carboxamide (CID 17145977) is N-(1-adamantylmethyl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-5-nitrofuran-2-carboxamide is O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-(1-adamantylmethyl)-5-nitrofuran-2-carboxamide?
The InChIKey is WLCJGPKMNIWREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c19-15(13-1-2-14(22-13)18(20)21)17-9-16-6-10-3-11(7-16)5-12(4-10)8-16/h1-2,10-12H,3-9H2,(H,17,19).
What are the key properties of N-(1-adamantylmethyl)-5-nitrofuran-2-carboxamide?
N-(1-adamantylmethyl)-5-nitrofuran-2-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 17145977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).