N-(2-naphthalen-1-yloxyethyl)-N-[2-(4-nitrophenyl)ethyl]acetamide

C22H22N2O4 — CID 11047092

IUPACN-(2-naphthalen-1-yloxyethyl)-N-[2-(4-nitrophenyl)ethyl]acetamide
SMILESCC(=O)N(CCOc1cccc2ccccc12)CCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C22H22N2O4/c1-17(25)23(14-13-18-9-11-20(12-10-18)24(26)27)15-16-28-22-8-4-6-19-5-2-3-7-21(19)22/h2-12H,13-16H2,1H3
InChIKeyMWBGZVOBNLWPLU-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.22
Rot. Bonds8

About N-(2-naphthalen-1-yloxyethyl)-N-[2-(4-nitrophenyl)ethyl]acetamide

N-(2-naphthalen-1-yloxyethyl)-N-[2-(4-nitrophenyl)ethyl]acetamide (PubChem CID 11047092) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(2-naphthalen-1-yloxyethyl)-N-[2-(4-nitrophenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-(2-naphthalen-1-yloxyethyl)-N-[2-(4-nitrophenyl)ethyl]acetamide
PubChem CID11047092
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC NameN-(2-naphthalen-1-yloxyethyl)-N-[2-(4-nitrophenyl)ethyl]acetamide
SMILESCC(=O)N(CCOc1cccc2ccccc12)CCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C22H22N2O4/c1-17(25)23(14-13-18-9-11-20(12-10-18)24(26)27)15-16-28-22-8-4-6-19-5-2-3-7-21(19)22/h2-12H,13-16H2,1H3
InChIKeyMWBGZVOBNLWPLU-UHFFFAOYSA-N
XLogP4.22
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.22
H-Bond Donors ≤ 50
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-methyl-N-(2-naphthalen-1-yloxyethyl)-2-(4-nitrophenyl)ethanamine
CID 11002610
N-(2-naphthalen-1-yloxyethyl)-2-(4-nitrophenoxy)acetamide
CID 19174635
[2-[2-(4-nitrophenyl)ethoxy]phenyl]methanol
CID 43520060
2-methyl-3-[2-(4-nitrophenyl)ethoxy]phenol
CID 43520078
2-naphthalen-1-yloxyethyl acetate
CID 23049663
N-[(4-methoxyphenyl)methyl]-N-[2-(4-nitrophenyl)ethyl]benzamide
CID 10938001
(E)-N-(2-naphthalen-1-yloxyethyl)-3-(4-nitrophenyl)prop-2-enamide
CID 94848384
N,N-bis[(4-nitrophenoxy)methyl]acetamide
CID 4167536
1-(2-nitroethoxy)naphthalene
CID 1313716
1-[2-(4-nitrophenyl)ethoxy]-2-propan-2-ylbenzene
CID 64764022
2-[2-[2-(4-nitrophenyl)ethoxy]phenyl]ethanol
CID 107713105
ethyl N-[2-(4-nitrophenyl)ethyl]-N-[(4-nitrophenyl)methyl]carbamate
CID 118047998

Frequently Asked Questions

What is the IUPAC name of N-(2-naphthalen-1-yloxyethyl)-N-[2-(4-nitrophenyl)ethyl]acetamide?
The IUPAC name of N-(2-naphthalen-1-yloxyethyl)-N-[2-(4-nitrophenyl)ethyl]acetamide (CID 11047092) is N-(2-naphthalen-1-yloxyethyl)-N-[2-(4-nitrophenyl)ethyl]acetamide.
What is the SMILES notation for N-(2-naphthalen-1-yloxyethyl)-N-[2-(4-nitrophenyl)ethyl]acetamide?
The canonical SMILES for N-(2-naphthalen-1-yloxyethyl)-N-[2-(4-nitrophenyl)ethyl]acetamide is CC(=O)N(CCOc1cccc2ccccc12)CCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2-naphthalen-1-yloxyethyl)-N-[2-(4-nitrophenyl)ethyl]acetamide?
The InChIKey is MWBGZVOBNLWPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-17(25)23(14-13-18-9-11-20(12-10-18)24(26)27)15-16-28-22-8-4-6-19-5-2-3-7-21(19)22/h2-12H,13-16H2,1H3.
What are the key properties of N-(2-naphthalen-1-yloxyethyl)-N-[2-(4-nitrophenyl)ethyl]acetamide?
N-(2-naphthalen-1-yloxyethyl)-N-[2-(4-nitrophenyl)ethyl]acetamide has a molecular weight of 378.43 g/mol, XLogP of 4.22, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-naphthalen-1-yloxyethyl)-N-[2-(4-nitrophenyl)ethyl]acetamide is sourced from PubChem (CID 11047092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).