N-(1-adamantyl)-2-(4-nitrophenoxy)acetamide

C18H22N2O4 — CID 4212692

IUPACN-(1-adamantyl)-2-(4-nitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H22N2O4/c21-17(11-24-16-3-1-15(2-4-16)20(22)23)19-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2,(H,19,21)
InChIKeyQSDIFMDZNQKZAO-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.06
Rot. Bonds5

About N-(1-adamantyl)-2-(4-nitrophenoxy)acetamide

N-(1-adamantyl)-2-(4-nitrophenoxy)acetamide (PubChem CID 4212692) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(4-nitrophenoxy)acetamide
PubChem CID4212692
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN-(1-adamantyl)-2-(4-nitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H22N2O4/c21-17(11-24-16-3-1-15(2-4-16)20(22)23)19-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2,(H,19,21)
InChIKeyQSDIFMDZNQKZAO-UHFFFAOYSA-N
XLogP3.06
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.06
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-(1-adamantyl)-2-(4-nitrophenoxy)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

N-(1-adamantylmethyl)-2-(4-nitrophenoxy)acetamide
CID 7502123
N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-nitrophenoxy)acetamide
CID 7502158
N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(4-nitrophenoxy)acetamide
CID 52893411
N-(1-adamantyl)-4-(4-nitroanilino)butanamide
CID 29198313
N-(1-adamantyl)-2-(3,5-dimethoxyphenoxy)acetamide
CID 7707186
[2-(1-adamantylamino)-2-oxoethyl] 2-phenoxyacetate
CID 5158793
2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
N-(3,3-dimethylcyclopentyl)-2-(4-nitrophenoxy)acetamide
CID 115880765
N-[[4-(1-adamantylamino)-4-oxobutan-2-ylidene]amino]-4-nitrobenzamide
CID 5044458
N-(1-adamantyl)-2-(2-hydroxyphenoxy)acetamide
CID 78773695
N-(4-hydroxycyclohexyl)-2-(4-nitrophenoxy)acetamide
CID 43389141
N-(1-adamantyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 24650546

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-(1-adamantyl)-2-(4-nitrophenoxy)acetamide (CID 4212692) is N-(1-adamantyl)-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-(1-adamantyl)-2-(4-nitrophenoxy)acetamide is O=C(COc1ccc([N+](=O)[O-])cc1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-(4-nitrophenoxy)acetamide?
The InChIKey is QSDIFMDZNQKZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c21-17(11-24-16-3-1-15(2-4-16)20(22)23)19-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2,(H,19,21).
What are the key properties of N-(1-adamantyl)-2-(4-nitrophenoxy)acetamide?
N-(1-adamantyl)-2-(4-nitrophenoxy)acetamide has a molecular weight of 330.38 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 4212692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).