N,N-diethyl-3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]benzamide

C20H23N3O5 — CID 8648051

IUPACN,N-diethyl-3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c1
InChIInChI=1S/C20H23N3O5/c1-4-22(5-2)20(25)15-7-6-8-16(12-15)21-19(24)13-28-17-9-10-18(23(26)27)14(3)11-17/h6-12H,4-5,13H2,1-3H3,(H,21,24)
InChIKeyUVKMISKKVDZNTN-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.40
Rot. Bonds8

About N,N-diethyl-3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]benzamide

N,N-diethyl-3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]benzamide (PubChem CID 8648051) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is N,N-diethyl-3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]benzamide
PubChem CID8648051
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC NameN,N-diethyl-3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c1
InChIInChI=1S/C20H23N3O5/c1-4-22(5-2)20(25)15-7-6-8-16(12-15)21-19(24)13-28-17-9-10-18(23(26)27)14(3)11-17/h6-12H,4-5,13H2,1-3H3,(H,21,24)
InChIKeyUVKMISKKVDZNTN-UHFFFAOYSA-N
XLogP3.40
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.40
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

3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 17194482
3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361413
N,N-diethyl-3-[[2-(4-propoxyphenoxy)acetyl]amino]benzamide
CID 78775457
3-[[2-(3-bromophenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 27875323
3-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 9229534
N,N-diethyl-3-[[2-(3-formylphenoxy)acetyl]amino]benzamide
CID 60607023
3-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 31288850
2-(3-methyl-4-nitrophenoxy)-N-(4-propan-2-yloxyphenyl)acetamide
CID 1406826
2-(3-methyl-4-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 41458994
N,N-diethyl-3-[[2-(4-nitrophenyl)acetyl]amino]benzamide
CID 43010536
2-(3-methyl-4-nitrophenoxy)acetohydrazide
CID 2063569
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-formylphenoxy)acetate
CID 8808978

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]benzamide?
The IUPAC name of N,N-diethyl-3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]benzamide (CID 8648051) is N,N-diethyl-3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]benzamide is CCN(CC)C(=O)c1cccc(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c1.
What is the InChIKey of N,N-diethyl-3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]benzamide?
The InChIKey is UVKMISKKVDZNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-4-22(5-2)20(25)15-7-6-8-16(12-15)21-19(24)13-28-17-9-10-18(23(26)27)14(3)11-17/h6-12H,4-5,13H2,1-3H3,(H,21,24).
What are the key properties of N,N-diethyl-3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]benzamide?
N,N-diethyl-3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]benzamide has a molecular weight of 385.42 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 8648051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).