N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-nitrobenzamide

C18H21N3O4 — CID 78799511

IUPACN-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-nitrobenzamide
SMILESCOc1ccccc1C(CNC(=O)c1ccccc1[N+](=O)[O-])N(C)C
InChIInChI=1S/C18H21N3O4/c1-20(2)16(13-8-5-7-11-17(13)25-3)12-19-18(22)14-9-4-6-10-15(14)21(23)24/h4-11,16H,12H2,1-3H3,(H,19,22)
InChIKeyFJLRGIVJNGZURK-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.64
Rot. Bonds7

About N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-nitrobenzamide

N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-nitrobenzamide (PubChem CID 78799511) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-nitrobenzamide
PubChem CID78799511
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-nitrobenzamide
SMILESCOc1ccccc1C(CNC(=O)c1ccccc1[N+](=O)[O-])N(C)C
InChIInChI=1S/C18H21N3O4/c1-20(2)16(13-8-5-7-11-17(13)25-3)12-19-18(22)14-9-4-6-10-15(14)21(23)24/h4-11,16H,12H2,1-3H3,(H,19,22)
InChIKeyFJLRGIVJNGZURK-UHFFFAOYSA-N
XLogP2.64
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-methyl-2-nitrobenzamide
CID 55369445
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-methoxybenzamide;hydrochloride
CID 52985226
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-hydroxybenzamide
CID 78799517
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4,5-dimethoxy-2-nitrobenzamide
CID 41453308
1-(2-methoxyphenyl)-N,N-dimethyl-N'-(2-nitrophenyl)ethane-1,2-diamine
CID 42909444
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-methyl-3-nitrobenzamide
CID 42910730
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 31308885
2,3-dichloro-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 55350129
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2-nitrobenzamide
CID 90490726
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-methoxy-3-nitrobenzamide
CID 51109535
N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-methoxy-5-nitrobenzamide
CID 25480247
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-nitrobenzamide
CID 51186743

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-nitrobenzamide?
The IUPAC name of N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-nitrobenzamide (CID 78799511) is N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-nitrobenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-nitrobenzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-nitrobenzamide is COc1ccccc1C(CNC(=O)c1ccccc1[N+](=O)[O-])N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-nitrobenzamide?
The InChIKey is FJLRGIVJNGZURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-20(2)16(13-8-5-7-11-17(13)25-3)12-19-18(22)14-9-4-6-10-15(14)21(23)24/h4-11,16H,12H2,1-3H3,(H,19,22).
What are the key properties of N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-nitrobenzamide?
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-nitrobenzamide has a molecular weight of 343.38 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-nitrobenzamide is sourced from PubChem (CID 78799511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).