2-naphthalen-2-yl-N-[2-(4-nitroanilino)ethyl]acetamide

C20H19N3O3 — CID 9308928

IUPAC2-naphthalen-2-yl-N-[2-(4-nitroanilino)ethyl]acetamide
SMILESO=C(Cc1ccc2ccccc2c1)NCCNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H19N3O3/c24-20(14-15-5-6-16-3-1-2-4-17(16)13-15)22-12-11-21-18-7-9-19(10-8-18)23(25)26/h1-10,13,21H,11-12,14H2,(H,22,24)
InChIKeyFYMLQTSBTOVGNT-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.52
Rot. Bonds7

About 2-naphthalen-2-yl-N-[2-(4-nitroanilino)ethyl]acetamide

2-naphthalen-2-yl-N-[2-(4-nitroanilino)ethyl]acetamide (PubChem CID 9308928) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-naphthalen-2-yl-N-[2-(4-nitroanilino)ethyl]acetamide.

Molecular Properties

Compound Name2-naphthalen-2-yl-N-[2-(4-nitroanilino)ethyl]acetamide
PubChem CID9308928
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name2-naphthalen-2-yl-N-[2-(4-nitroanilino)ethyl]acetamide
SMILESO=C(Cc1ccc2ccccc2c1)NCCNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H19N3O3/c24-20(14-15-5-6-16-3-1-2-4-17(16)13-15)22-12-11-21-18-7-9-19(10-8-18)23(25)26/h1-10,13,21H,11-12,14H2,(H,22,24)
InChIKeyFYMLQTSBTOVGNT-UHFFFAOYSA-N
XLogP3.52
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylphenyl)-N-[2-(4-nitroanilino)ethyl]acetamide
CID 9308940
2-benzo[e][1]benzofuran-1-yl-N-[2-(4-nitroanilino)ethyl]acetamide
CID 46415646
N-(2-bromoethyl)-2-naphthalen-2-ylacetamide
CID 43133408
3-indol-1-yl-N-[2-(4-nitroanilino)ethyl]propanamide
CID 40718950
2-naphthalen-2-yl-N-pent-4-ynylacetamide
CID 103709060
5-nitro-N-[2-(4-nitroanilino)ethyl]furan-2-carboxamide
CID 26445857
N-(4-methyl-3-nitrophenyl)-2-naphthalen-2-ylacetamide
CID 26575746
N-[2-(methylamino)ethyl]-2-(4-nitrophenyl)acetamide
CID 62657388
2-naphthalen-2-yl-N-(2-phenylethyl)acetamide
CID 26913082
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-(4-nitroanilino)ethyl]acetamide
CID 41388533
N-(2-hydroxyethyl)-2-(4-nitrophenyl)acetamide
CID 2054852
N-[2-(ethylamino)ethyl]-2-naphthalen-2-ylacetamide;hydrochloride
CID 119504641

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-N-[2-(4-nitroanilino)ethyl]acetamide?
The IUPAC name of 2-naphthalen-2-yl-N-[2-(4-nitroanilino)ethyl]acetamide (CID 9308928) is 2-naphthalen-2-yl-N-[2-(4-nitroanilino)ethyl]acetamide.
What is the SMILES notation for 2-naphthalen-2-yl-N-[2-(4-nitroanilino)ethyl]acetamide?
The canonical SMILES for 2-naphthalen-2-yl-N-[2-(4-nitroanilino)ethyl]acetamide is O=C(Cc1ccc2ccccc2c1)NCCNc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-naphthalen-2-yl-N-[2-(4-nitroanilino)ethyl]acetamide?
The InChIKey is FYMLQTSBTOVGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c24-20(14-15-5-6-16-3-1-2-4-17(16)13-15)22-12-11-21-18-7-9-19(10-8-18)23(25)26/h1-10,13,21H,11-12,14H2,(H,22,24).
What are the key properties of 2-naphthalen-2-yl-N-[2-(4-nitroanilino)ethyl]acetamide?
2-naphthalen-2-yl-N-[2-(4-nitroanilino)ethyl]acetamide has a molecular weight of 349.39 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-N-[2-(4-nitroanilino)ethyl]acetamide is sourced from PubChem (CID 9308928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).