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

C19H24N2O4 — CID 7502123

IUPACN-(1-adamantylmethyl)-2-(4-nitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H24N2O4/c22-18(11-25-17-3-1-16(2-4-17)21(23)24)20-12-19-8-13-5-14(9-19)7-15(6-13)10-19/h1-4,13-15H,5-12H2,(H,20,22)
InChIKeyFYXWUMLJLROLTE-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.31
Rot. Bonds6

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

N-(1-adamantylmethyl)-2-(4-nitrophenoxy)acetamide (PubChem CID 7502123) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-(4-nitrophenoxy)acetamide
PubChem CID7502123
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC NameN-(1-adamantylmethyl)-2-(4-nitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H24N2O4/c22-18(11-25-17-3-1-16(2-4-17)21(23)24)20-12-19-8-13-5-14(9-19)7-15(6-13)10-19/h1-4,13-15H,5-12H2,(H,20,22)
InChIKeyFYXWUMLJLROLTE-UHFFFAOYSA-N
XLogP3.31
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.31
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-(1-adamantyl)-2-(4-nitrophenoxy)acetamide
CID 4212692
N-(1-adamantylmethyl)-2-(2-chloro-4-nitrophenoxy)acetamide
CID 7509178
N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-nitrophenoxy)acetamide
CID 7502158
N-(1-adamantylmethyl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 7795150
N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(4-nitrophenoxy)acetamide
CID 52893411
N-(1-adamantylmethyl)-2-iodo-5-nitrobenzamide
CID 55684901
N-(2-acetamidoethyl)-2-(4-nitrophenoxy)acetamide
CID 41161661
N-(3-hydroxypropyl)-2-(4-nitrophenoxy)acetamide
CID 43391408
N-(1-adamantylmethyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 19516008
3-[[2-(4-nitrophenoxy)acetyl]amino]propanamide
CID 3757561
2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
N-(3,3-dimethylcyclopentyl)-2-(4-nitrophenoxy)acetamide
CID 115880765

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-(1-adamantylmethyl)-2-(4-nitrophenoxy)acetamide (CID 7502123) is N-(1-adamantylmethyl)-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-(4-nitrophenoxy)acetamide is O=C(COc1ccc([N+](=O)[O-])cc1)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-2-(4-nitrophenoxy)acetamide?
The InChIKey is FYXWUMLJLROLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c22-18(11-25-17-3-1-16(2-4-17)21(23)24)20-12-19-8-13-5-14(9-19)7-15(6-13)10-19/h1-4,13-15H,5-12H2,(H,20,22).
What are the key properties of N-(1-adamantylmethyl)-2-(4-nitrophenoxy)acetamide?
N-(1-adamantylmethyl)-2-(4-nitrophenoxy)acetamide has a molecular weight of 344.41 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 7502123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).