2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-N-methyl-5-nitrobenzamide

C20H26N4O3 — CID 87020755

IUPAC2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-N-methyl-5-nitrobenzamide
SMILESCCc1ccc(C(CNc2ccc([N+](=O)[O-])cc2C(=O)NC)N(C)C)cc1
InChIInChI=1S/C20H26N4O3/c1-5-14-6-8-15(9-7-14)19(23(3)4)13-22-18-11-10-16(24(26)27)12-17(18)20(25)21-2/h6-12,19,22H,5,13H2,1-4H3,(H,21,25)
InChIKeyVXMSNPALEKLWMP-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.23
Rot. Bonds8

About 2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-N-methyl-5-nitrobenzamide

2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-N-methyl-5-nitrobenzamide (PubChem CID 87020755) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-N-methyl-5-nitrobenzamide.

Molecular Properties

Compound Name2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-N-methyl-5-nitrobenzamide
PubChem CID87020755
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-N-methyl-5-nitrobenzamide
SMILESCCc1ccc(C(CNc2ccc([N+](=O)[O-])cc2C(=O)NC)N(C)C)cc1
InChIInChI=1S/C20H26N4O3/c1-5-14-6-8-15(9-7-14)19(23(3)4)13-22-18-11-10-16(24(26)27)12-17(18)20(25)21-2/h6-12,19,22H,5,13H2,1-4H3,(H,21,25)
InChIKeyVXMSNPALEKLWMP-UHFFFAOYSA-N
XLogP3.23
TPSA87.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.23
H-Bond Donors ≤ 52
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

2-[[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-5-nitrobenzonitrile
CID 7922904
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-fluoro-4-nitrobenzamide
CID 87021093
2-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]-N-methyl-5-nitrobenzamide
CID 133375805
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-nitrobenzamide
CID 51186743
4-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-3-nitrobenzenesulfonamide
CID 55347014
(1R)-N'-(2-chloro-4-nitrophenyl)-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 7834758
2-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methylamino]-N-methyl-5-nitrobenzamide
CID 133411307
4-[2-(methylcarbamoyl)-4-nitroanilino]butanoic acid
CID 122058634
1-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(4-nitrophenyl)thiourea
CID 8656435
2-[(3-hydroxy-4-methoxyphenyl)methylamino]-N-methyl-5-nitrobenzamide
CID 86938923
[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-(methylamino)-5-nitrobenzoate
CID 7752008
N-ethyl-2-(ethylamino)-5-nitrobenzamide
CID 55042507

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-N-methyl-5-nitrobenzamide?
The IUPAC name of 2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-N-methyl-5-nitrobenzamide (CID 87020755) is 2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-N-methyl-5-nitrobenzamide.
What is the SMILES notation for 2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-N-methyl-5-nitrobenzamide?
The canonical SMILES for 2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-N-methyl-5-nitrobenzamide is CCc1ccc(C(CNc2ccc([N+](=O)[O-])cc2C(=O)NC)N(C)C)cc1.
What is the InChIKey of 2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-N-methyl-5-nitrobenzamide?
The InChIKey is VXMSNPALEKLWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-5-14-6-8-15(9-7-14)19(23(3)4)13-22-18-11-10-16(24(26)27)12-17(18)20(25)21-2/h6-12,19,22H,5,13H2,1-4H3,(H,21,25).
What are the key properties of 2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-N-methyl-5-nitrobenzamide?
2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-N-methyl-5-nitrobenzamide has a molecular weight of 370.45 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-N-methyl-5-nitrobenzamide is sourced from PubChem (CID 87020755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).