2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-(2-methyl-3-nitrophenyl)acetamide

C19H24N2O4 — CID 9270815

IUPAC2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-(2-methyl-3-nitrophenyl)acetamide
SMILESCc1c(NC(=O)CC23C[C@@H]4C[C@@H](CC(O)(C4)C2)C3)cccc1[N+](=O)[O-]
InChIInChI=1S/C19H24N2O4/c1-12-15(3-2-4-16(12)21(24)25)20-17(22)10-18-6-13-5-14(7-18)9-19(23,8-13)11-18/h2-4,13-14,23H,5-11H2,1H3,(H,20,22)/t13-,14+,18?,19?
InChIKeyOHNNKJVIONLGJG-BAUKFBFWSA-N
MW344.41 g/mol
LogP3.56
Rot. Bonds4

About 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-(2-methyl-3-nitrophenyl)acetamide

2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-(2-methyl-3-nitrophenyl)acetamide (PubChem CID 9270815) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-(2-methyl-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-(2-methyl-3-nitrophenyl)acetamide
PubChem CID9270815
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-(2-methyl-3-nitrophenyl)acetamide
SMILESCc1c(NC(=O)CC23C[C@@H]4C[C@@H](CC(O)(C4)C2)C3)cccc1[N+](=O)[O-]
InChIInChI=1S/C19H24N2O4/c1-12-15(3-2-4-16(12)21(24)25)20-17(22)10-18-6-13-5-14(7-18)9-19(23,8-13)11-18/h2-4,13-14,23H,5-11H2,1H3,(H,20,22)/t13-,14+,18?,19?
InChIKeyOHNNKJVIONLGJG-BAUKFBFWSA-N
XLogP3.56
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.56
H-Bond Donors ≤ 52
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 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-(2-methyl-3-nitrophenyl)acetamide 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

2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-(3-nitrophenyl)acetamide
CID 9040930
N-(2,5-dimethylphenyl)-2-[(5S,7R)-3-hydroxy-1-adamantyl]acetamide
CID 9034291
2-(3-hydroxy-1-adamantyl)-N-phenylacetamide
CID 18104229
2-(3-hydroxy-1-adamantyl)-N-(2-hydroxy-4-methylphenyl)acetamide
CID 24540776
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2-methyl-3-nitrophenyl)acetamide
CID 21175281
2-[1-[2-(2-methyl-3-nitroanilino)-2-oxoethyl]cyclohexyl]acetic acid
CID 39729008
2-cyclopentyl-N-(2-methyl-3-nitrophenyl)acetamide
CID 9395610
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(3-hydroxy-1-adamantyl)acetamide
CID 17421165
N-[3-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 42942168
methyl 3-[[2-[(5S,7R)-3-hydroxy-1-adamantyl]acetyl]amino]-4-methylbenzoate
CID 9378234
4-methyl-N-(2-methyl-3-nitrophenyl)pentanamide
CID 4800327
[2-(2-methyl-6-nitroanilino)-2-oxoethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate
CID 7458807

Frequently Asked Questions

What is the IUPAC name of 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-(2-methyl-3-nitrophenyl)acetamide?
The IUPAC name of 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-(2-methyl-3-nitrophenyl)acetamide (CID 9270815) is 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-(2-methyl-3-nitrophenyl)acetamide.
What is the SMILES notation for 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-(2-methyl-3-nitrophenyl)acetamide?
The canonical SMILES for 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-(2-methyl-3-nitrophenyl)acetamide is Cc1c(NC(=O)CC23C[C@@H]4C[C@@H](CC(O)(C4)C2)C3)cccc1[N+](=O)[O-].
What is the InChIKey of 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-(2-methyl-3-nitrophenyl)acetamide?
The InChIKey is OHNNKJVIONLGJG-BAUKFBFWSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-12-15(3-2-4-16(12)21(24)25)20-17(22)10-18-6-13-5-14(7-18)9-19(23,8-13)11-18/h2-4,13-14,23H,5-11H2,1H3,(H,20,22)/t13-,14+,18?,19?.
What are the key properties of 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-(2-methyl-3-nitrophenyl)acetamide?
2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-(2-methyl-3-nitrophenyl)acetamide has a molecular weight of 344.41 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-(2-methyl-3-nitrophenyl)acetamide is sourced from PubChem (CID 9270815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).