N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-nitrobenzamide

C19H23N3O3 — CID 51186743

IUPACN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-nitrobenzamide
SMILESCCc1ccc(C(CNC(=O)c2ccccc2[N+](=O)[O-])N(C)C)cc1
InChIInChI=1S/C19H23N3O3/c1-4-14-9-11-15(12-10-14)18(21(2)3)13-20-19(23)16-7-5-6-8-17(16)22(24)25/h5-12,18H,4,13H2,1-3H3,(H,20,23)
InChIKeyASHAMACHVBEVTP-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.19
Rot. Bonds7

About N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-nitrobenzamide

N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-nitrobenzamide (PubChem CID 51186743) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-nitrobenzamide
PubChem CID51186743
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-nitrobenzamide
SMILESCCc1ccc(C(CNC(=O)c2ccccc2[N+](=O)[O-])N(C)C)cc1
InChIInChI=1S/C19H23N3O3/c1-4-14-9-11-15(12-10-14)18(21(2)3)13-20-19(23)16-7-5-6-8-17(16)22(24)25/h5-12,18H,4,13H2,1-3H3,(H,20,23)
InChIKeyASHAMACHVBEVTP-UHFFFAOYSA-N
XLogP3.19
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
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-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-methylbenzamide
CID 46422034
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-hydroxy-4-nitrobenzamide
CID 24640224
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-fluoro-4-nitrobenzamide
CID 87021093
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-methyl-3-nitrobenzamide
CID 45001824
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-nitrobenzamide
CID 78799511
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-nitrobenzamide
CID 90581439
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methyl-2-nitrobenzamide
CID 27229559
N-[2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-2-iodobenzamide
CID 55369421
N-[2-(dimethylamino)-2-phenylethyl]-2,3,4-trifluoro-5-nitrobenzamide
CID 110312851
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(2-nitrophenyl)acetamide
CID 27230247
4-(cyclopropylamino)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-nitrobenzamide
CID 43003475
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4,5-dimethoxy-2-nitrobenzamide
CID 41453308

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-nitrobenzamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-nitrobenzamide (CID 51186743) is N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-nitrobenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-nitrobenzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-nitrobenzamide is CCc1ccc(C(CNC(=O)c2ccccc2[N+](=O)[O-])N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-nitrobenzamide?
The InChIKey is ASHAMACHVBEVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-4-14-9-11-15(12-10-14)18(21(2)3)13-20-19(23)16-7-5-6-8-17(16)22(24)25/h5-12,18H,4,13H2,1-3H3,(H,20,23).
What are the key properties of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-nitrobenzamide?
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-nitrobenzamide has a molecular weight of 341.41 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-nitrobenzamide is sourced from PubChem (CID 51186743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).