N-[(2-hydroxynaphthalen-1-yl)-(4-nitrophenyl)methyl]-2-phenoxyacetamide

C25H20N2O5 — CID 2897625

IUPACN-[(2-hydroxynaphthalen-1-yl)-(4-nitrophenyl)methyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NC(c1ccc([N+](=O)[O-])cc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C25H20N2O5/c28-22-15-12-17-6-4-5-9-21(17)24(22)25(18-10-13-19(14-11-18)27(30)31)26-23(29)16-32-20-7-2-1-3-8-20/h1-15,25,28H,16H2,(H,26,29)
InChIKeyCFBFOZIOIWMQQJ-UHFFFAOYSA-N
MW428.44 g/mol
LogP4.74
Rot. Bonds7

About N-[(2-hydroxynaphthalen-1-yl)-(4-nitrophenyl)methyl]-2-phenoxyacetamide

N-[(2-hydroxynaphthalen-1-yl)-(4-nitrophenyl)methyl]-2-phenoxyacetamide (PubChem CID 2897625) has the molecular formula C25H20N2O5 and a molecular weight of 428.44 g/mol. Its IUPAC name is N-[(2-hydroxynaphthalen-1-yl)-(4-nitrophenyl)methyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(2-hydroxynaphthalen-1-yl)-(4-nitrophenyl)methyl]-2-phenoxyacetamide
PubChem CID2897625
Molecular FormulaC25H20N2O5
Molecular Weight428.44 g/mol
Exact Mass428.14
IUPAC NameN-[(2-hydroxynaphthalen-1-yl)-(4-nitrophenyl)methyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NC(c1ccc([N+](=O)[O-])cc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C25H20N2O5/c28-22-15-12-17-6-4-5-9-21(17)24(22)25(18-10-13-19(14-11-18)27(30)31)26-23(29)16-32-20-7-2-1-3-8-20/h1-15,25,28H,16H2,(H,26,29)
InChIKeyCFBFOZIOIWMQQJ-UHFFFAOYSA-N
XLogP4.74
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', '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-chloro-N-[(2-hydroxynaphthalen-1-yl)-(4-nitrophenyl)methyl]acetamide
CID 44556782
N-[(S)-(2-hydroxynaphthalen-1-yl)-(4-nitrophenyl)methyl]-3-methylbutanamide
CID 1084523
[1-[(S)-(4-nitrophenyl)-(propanoylamino)methyl]naphthalen-2-yl] 2-phenoxyacetate
CID 2223052
N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide
CID 19165242
N-[(R)-(2-hydroxynaphthalen-1-yl)-(4-nitrophenyl)methyl]-3-methoxybenzamide
CID 1335808
N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-3,5-dinitrobenzamide
CID 19165231
N-[(2-hydroxynaphthalen-1-yl)-(3-nitrophenyl)methyl]-3-phenylpropanamide
CID 2928533
4-(4-tert-butylphenoxy)-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]butanamide
CID 19173596
(4-nitrophenyl)methyl (2S)-2-[(2-phenoxyacetyl)amino]propanoate
CID 8842104
N-(2,2-diphenylethyl)-2-(4-nitrophenoxy)acetamide
CID 41161668
N-[(S)-(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 877378
N-[(R)-[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]propanamide
CID 877494

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxynaphthalen-1-yl)-(4-nitrophenyl)methyl]-2-phenoxyacetamide?
The IUPAC name of N-[(2-hydroxynaphthalen-1-yl)-(4-nitrophenyl)methyl]-2-phenoxyacetamide (CID 2897625) is N-[(2-hydroxynaphthalen-1-yl)-(4-nitrophenyl)methyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(2-hydroxynaphthalen-1-yl)-(4-nitrophenyl)methyl]-2-phenoxyacetamide?
The canonical SMILES for N-[(2-hydroxynaphthalen-1-yl)-(4-nitrophenyl)methyl]-2-phenoxyacetamide is O=C(COc1ccccc1)NC(c1ccc([N+](=O)[O-])cc1)c1c(O)ccc2ccccc12.
What is the InChIKey of N-[(2-hydroxynaphthalen-1-yl)-(4-nitrophenyl)methyl]-2-phenoxyacetamide?
The InChIKey is CFBFOZIOIWMQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O5/c28-22-15-12-17-6-4-5-9-21(17)24(22)25(18-10-13-19(14-11-18)27(30)31)26-23(29)16-32-20-7-2-1-3-8-20/h1-15,25,28H,16H2,(H,26,29).
What are the key properties of N-[(2-hydroxynaphthalen-1-yl)-(4-nitrophenyl)methyl]-2-phenoxyacetamide?
N-[(2-hydroxynaphthalen-1-yl)-(4-nitrophenyl)methyl]-2-phenoxyacetamide has a molecular weight of 428.44 g/mol, XLogP of 4.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxynaphthalen-1-yl)-(4-nitrophenyl)methyl]-2-phenoxyacetamide is sourced from PubChem (CID 2897625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).