N-[2-(N-ethyl-3-methylanilino)ethyl]-5-methoxy-2-nitrobenzamide

C19H23N3O4 — CID 52754815

IUPACN-[2-(N-ethyl-3-methylanilino)ethyl]-5-methoxy-2-nitrobenzamide
SMILESCCN(CCNC(=O)c1cc(OC)ccc1[N+](=O)[O-])c1cccc(C)c1
InChIInChI=1S/C19H23N3O4/c1-4-21(15-7-5-6-14(2)12-15)11-10-20-19(23)17-13-16(26-3)8-9-18(17)22(24)25/h5-9,12-13H,4,10-11H2,1-3H3,(H,20,23)
InChIKeyCUZBXCZIWFQLEO-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.17
Rot. Bonds8

About N-[2-(N-ethyl-3-methylanilino)ethyl]-5-methoxy-2-nitrobenzamide

N-[2-(N-ethyl-3-methylanilino)ethyl]-5-methoxy-2-nitrobenzamide (PubChem CID 52754815) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[2-(N-ethyl-3-methylanilino)ethyl]-5-methoxy-2-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(N-ethyl-3-methylanilino)ethyl]-5-methoxy-2-nitrobenzamide
PubChem CID52754815
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC NameN-[2-(N-ethyl-3-methylanilino)ethyl]-5-methoxy-2-nitrobenzamide
SMILESCCN(CCNC(=O)c1cc(OC)ccc1[N+](=O)[O-])c1cccc(C)c1
InChIInChI=1S/C19H23N3O4/c1-4-21(15-7-5-6-14(2)12-15)11-10-20-19(23)17-13-16(26-3)8-9-18(17)22(24)25/h5-9,12-13H,4,10-11H2,1-3H3,(H,20,23)
InChIKeyCUZBXCZIWFQLEO-UHFFFAOYSA-N
XLogP3.17
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.17
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-(N-ethyl-3-methylanilino)ethyl]-2-methoxy-4-methylsulfanylbenzamide
CID 3730125
N-[2-(N-ethyl-3-methylanilino)ethyl]-3,4,5-trimethoxybenzamide
CID 8909756
N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(4-methylphenoxy)acetamide
CID 46684568
5-methoxy-2-nitro-N-[2-[(S)-phenylsulfinyl]ethyl]benzamide
CID 96515513
N-[2-(diethylamino)ethyl]-5-hydroxy-2-nitrobenzamide
CID 102740736
N-[2-(N-ethyl-3-methylanilino)ethyl]furan-2-carboxamide
CID 51193709
5-methoxy-2-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 47847319
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxy-2-nitrobenzamide
CID 47845610
N-[2-(N-ethyl-3-methylanilino)ethyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 46438107
3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]benzamide;dihydrochloride
CID 119831786
1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-hydroxypropyl)urea
CID 110892216
N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-5-methoxy-2-nitrobenzamide
CID 52860951

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-ethyl-3-methylanilino)ethyl]-5-methoxy-2-nitrobenzamide?
The IUPAC name of N-[2-(N-ethyl-3-methylanilino)ethyl]-5-methoxy-2-nitrobenzamide (CID 52754815) is N-[2-(N-ethyl-3-methylanilino)ethyl]-5-methoxy-2-nitrobenzamide.
What is the SMILES notation for N-[2-(N-ethyl-3-methylanilino)ethyl]-5-methoxy-2-nitrobenzamide?
The canonical SMILES for N-[2-(N-ethyl-3-methylanilino)ethyl]-5-methoxy-2-nitrobenzamide is CCN(CCNC(=O)c1cc(OC)ccc1[N+](=O)[O-])c1cccc(C)c1.
What is the InChIKey of N-[2-(N-ethyl-3-methylanilino)ethyl]-5-methoxy-2-nitrobenzamide?
The InChIKey is CUZBXCZIWFQLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-4-21(15-7-5-6-14(2)12-15)11-10-20-19(23)17-13-16(26-3)8-9-18(17)22(24)25/h5-9,12-13H,4,10-11H2,1-3H3,(H,20,23).
What are the key properties of N-[2-(N-ethyl-3-methylanilino)ethyl]-5-methoxy-2-nitrobenzamide?
N-[2-(N-ethyl-3-methylanilino)ethyl]-5-methoxy-2-nitrobenzamide has a molecular weight of 357.41 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-ethyl-3-methylanilino)ethyl]-5-methoxy-2-nitrobenzamide is sourced from PubChem (CID 52754815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).