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

C18H22N2O4 — CID 2194042

IUPACN-(2-adamantyl)-2-(4-nitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H22N2O4/c21-17(10-24-16-3-1-15(2-4-16)20(22)23)19-18-13-6-11-5-12(8-13)9-14(18)7-11/h1-4,11-14,18H,5-10H2,(H,19,21)
InChIKeyHFXVIPUTBPJFQH-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.91
Rot. Bonds5

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

N-(2-adamantyl)-2-(4-nitrophenoxy)acetamide (PubChem CID 2194042) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-(2-adamantyl)-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-adamantyl)-2-(4-nitrophenoxy)acetamide
PubChem CID2194042
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN-(2-adamantyl)-2-(4-nitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H22N2O4/c21-17(10-24-16-3-1-15(2-4-16)20(22)23)19-18-13-6-11-5-12(8-13)9-14(18)7-11/h1-4,11-14,18H,5-10H2,(H,19,21)
InChIKeyHFXVIPUTBPJFQH-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
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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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-(2-adamantyl)-2-(4-nitrophenoxy)acetamide (CID 2194042) is N-(2-adamantyl)-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-(2-adamantyl)-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-(2-adamantyl)-2-(4-nitrophenoxy)acetamide is O=C(COc1ccc([N+](=O)[O-])cc1)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-2-(4-nitrophenoxy)acetamide?
The InChIKey is HFXVIPUTBPJFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c21-17(10-24-16-3-1-15(2-4-16)20(22)23)19-18-13-6-11-5-12(8-13)9-14(18)7-11/h1-4,11-14,18H,5-10H2,(H,19,21).
What are the key properties of N-(2-adamantyl)-2-(4-nitrophenoxy)acetamide?
N-(2-adamantyl)-2-(4-nitrophenoxy)acetamide has a molecular weight of 330.38 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 2194042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).