N,N-dimethyl-2-(4-nitronaphthalen-1-yl)acetamide

C14H14N2O3 — CID 130276401

IUPACN,N-dimethyl-2-(4-nitronaphthalen-1-yl)acetamide
SMILESCN(C)C(=O)Cc1ccc([N+](=O)[O-])c2ccccc12
InChIInChI=1S/C14H14N2O3/c1-15(2)14(17)9-10-7-8-13(16(18)19)12-6-4-3-5-11(10)12/h3-8H,9H2,1-2H3
InChIKeyBNCCTSQIQWVAHD-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.38
Rot. Bonds3

About N,N-dimethyl-2-(4-nitronaphthalen-1-yl)acetamide

N,N-dimethyl-2-(4-nitronaphthalen-1-yl)acetamide (PubChem CID 130276401) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-nitronaphthalen-1-yl)acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-nitronaphthalen-1-yl)acetamide
PubChem CID130276401
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC NameN,N-dimethyl-2-(4-nitronaphthalen-1-yl)acetamide
SMILESCN(C)C(=O)Cc1ccc([N+](=O)[O-])c2ccccc12
InChIInChI=1S/C14H14N2O3/c1-15(2)14(17)9-10-7-8-13(16(18)19)12-6-4-3-5-11(10)12/h3-8H,9H2,1-2H3
InChIKeyBNCCTSQIQWVAHD-UHFFFAOYSA-N
XLogP2.38
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1-(fluoromethyl)-4-nitronaphthalene
CID 12749164
N,N-dimethyl-2-[2-[(2-nitrophenyl)methylamino]phenyl]acetamide
CID 71981770
2-(5-nitronaphthalen-1-yl)-1-[4-(N-phenylanilino)phenyl]ethanone
CID 132502754
ethyl 2-chloro-2-(4-nitronaphthalen-1-yl)acetate
CID 14667768
N-methyl-N-(2-methylpropyl)-2-(2-nitrophenyl)acetamide
CID 134058659
ethane;1-(4-nitronaphthalen-1-yl)oxypropan-2-one
CID 143171180
1-(2,4-dinitronaphthalen-1-yl)propan-2-one
CID 15546460
1-(5-nitroquinolin-8-yl)propan-2-one
CID 63199171
2-[methyl-[2-(2-nitrophenyl)acetyl]amino]propanoic acid
CID 62627251
1-ethoxy-2-nitronaphthalene
CID 15811705
diethyl-(4-nitronaphthalen-1-yl)phosphane
CID 150138006
ethyl 2-fluoro-2-(4-nitronaphthalen-1-yl)oxyacetate
CID 79356668

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-nitronaphthalen-1-yl)acetamide?
The IUPAC name of N,N-dimethyl-2-(4-nitronaphthalen-1-yl)acetamide (CID 130276401) is N,N-dimethyl-2-(4-nitronaphthalen-1-yl)acetamide.
What is the SMILES notation for N,N-dimethyl-2-(4-nitronaphthalen-1-yl)acetamide?
The canonical SMILES for N,N-dimethyl-2-(4-nitronaphthalen-1-yl)acetamide is CN(C)C(=O)Cc1ccc([N+](=O)[O-])c2ccccc12.
What is the InChIKey of N,N-dimethyl-2-(4-nitronaphthalen-1-yl)acetamide?
The InChIKey is BNCCTSQIQWVAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-15(2)14(17)9-10-7-8-13(16(18)19)12-6-4-3-5-11(10)12/h3-8H,9H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(4-nitronaphthalen-1-yl)acetamide?
N,N-dimethyl-2-(4-nitronaphthalen-1-yl)acetamide has a molecular weight of 258.28 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-nitronaphthalen-1-yl)acetamide is sourced from PubChem (CID 130276401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).