N-[(1R)-1-(1-adamantyl)ethyl]-5-nitrofuran-2-carboxamide

C17H22N2O4 — CID 7269076

IUPACN-[(1R)-1-(1-adamantyl)ethyl]-5-nitrofuran-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H22N2O4/c1-10(18-16(20)14-2-3-15(23-14)19(21)22)17-7-11-4-12(8-17)6-13(5-11)9-17/h2-3,10-13H,4-9H2,1H3,(H,18,20)/t10-,11?,12?,13?,17?/m1/s1
InChIKeyMAIPNGKCZNLSRR-LKBWSCCASA-N
MW318.37 g/mol
LogP3.52
Rot. Bonds4

About N-[(1R)-1-(1-adamantyl)ethyl]-5-nitrofuran-2-carboxamide

N-[(1R)-1-(1-adamantyl)ethyl]-5-nitrofuran-2-carboxamide (PubChem CID 7269076) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is N-[(1R)-1-(1-adamantyl)ethyl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-adamantyl)ethyl]-5-nitrofuran-2-carboxamide
PubChem CID7269076
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC NameN-[(1R)-1-(1-adamantyl)ethyl]-5-nitrofuran-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H22N2O4/c1-10(18-16(20)14-2-3-15(23-14)19(21)22)17-7-11-4-12(8-17)6-13(5-11)9-17/h2-3,10-13H,4-9H2,1H3,(H,18,20)/t10-,11?,12?,13?,17?/m1/s1
InChIKeyMAIPNGKCZNLSRR-LKBWSCCASA-N
XLogP3.52
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.52
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'}

Analyze N-[(1R)-1-(1-adamantyl)ethyl]-5-nitrofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-(1-adamantyl)ethyl]-5-nitrothiophene-2-carboxamide
CID 7695383
N-(1-adamantylmethyl)-5-nitrofuran-2-carboxamide
CID 17145977
N-[(1S)-1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-nitrofuran-2-carboxamide
CID 2404747
N-butan-2-yl-5-nitrofuran-2-carboxamide
CID 4273319
tert-butyl (2R)-2-[(5-nitrofuran-2-carbonyl)amino]propanoate
CID 81003533
N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-nitrophenoxy)acetamide
CID 7502158
(2R)-3,3-dimethyl-2-[(5-nitrofuran-2-carbonyl)amino]butanoic acid
CID 93054958
N-[(1R)-1-(1-adamantyl)ethyl]-4-(methylsulfanylmethyl)benzamide
CID 7929515
N-(1-amino-4-methylpentan-2-yl)-5-nitrofuran-2-carboxamide
CID 63887141
N-[1-(1-adamantyl)ethyl]-4-iodobenzamide
CID 5104352
N-[(1S)-1-(1-adamantyl)ethyl]-5-methylthiophene-2-carboxamide
CID 8025209
N-[(1S)-1-(1-adamantyl)ethyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 7319840

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-adamantyl)ethyl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[(1R)-1-(1-adamantyl)ethyl]-5-nitrofuran-2-carboxamide (CID 7269076) is N-[(1R)-1-(1-adamantyl)ethyl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(1-adamantyl)ethyl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(1-adamantyl)ethyl]-5-nitrofuran-2-carboxamide is C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(1R)-1-(1-adamantyl)ethyl]-5-nitrofuran-2-carboxamide?
The InChIKey is MAIPNGKCZNLSRR-LKBWSCCASA-N. The full InChI is InChI=1S/C17H22N2O4/c1-10(18-16(20)14-2-3-15(23-14)19(21)22)17-7-11-4-12(8-17)6-13(5-11)9-17/h2-3,10-13H,4-9H2,1H3,(H,18,20)/t10-,11?,12?,13?,17?/m1/s1.
What are the key properties of N-[(1R)-1-(1-adamantyl)ethyl]-5-nitrofuran-2-carboxamide?
N-[(1R)-1-(1-adamantyl)ethyl]-5-nitrofuran-2-carboxamide has a molecular weight of 318.37 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-adamantyl)ethyl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 7269076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).