N-(3,4-dipropoxyphenyl)-2-(2-nitrophenoxy)acetamide

C20H24N2O6 — CID 7924135

IUPACN-(3,4-dipropoxyphenyl)-2-(2-nitrophenoxy)acetamide
SMILESCCCOc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1OCCC
InChIInChI=1S/C20H24N2O6/c1-3-11-26-18-10-9-15(13-19(18)27-12-4-2)21-20(23)14-28-17-8-6-5-7-16(17)22(24)25/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,21,23)
InChIKeyJAPQHAFEPDTGJF-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.19
Rot. Bonds11

About N-(3,4-dipropoxyphenyl)-2-(2-nitrophenoxy)acetamide

N-(3,4-dipropoxyphenyl)-2-(2-nitrophenoxy)acetamide (PubChem CID 7924135) has the molecular formula C20H24N2O6 and a molecular weight of 388.42 g/mol. Its IUPAC name is N-(3,4-dipropoxyphenyl)-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(3,4-dipropoxyphenyl)-2-(2-nitrophenoxy)acetamide
PubChem CID7924135
Molecular FormulaC20H24N2O6
Molecular Weight388.42 g/mol
Exact Mass388.16
IUPAC NameN-(3,4-dipropoxyphenyl)-2-(2-nitrophenoxy)acetamide
SMILESCCCOc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1OCCC
InChIInChI=1S/C20H24N2O6/c1-3-11-26-18-10-9-15(13-19(18)27-12-4-2)21-20(23)14-28-17-8-6-5-7-16(17)22(24)25/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,21,23)
InChIKeyJAPQHAFEPDTGJF-UHFFFAOYSA-N
XLogP4.19
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(3,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 2500616
N-[4-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204887
N-(4-ethoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 717206
N-(4-acetylphenyl)-2-(2-nitrophenoxy)acetamide
CID 717260
4-[[2-(2-nitrophenoxy)acetyl]amino]-N-propylbenzamide
CID 17218797
N-(3,5-difluorophenyl)-2-(2-nitrophenoxy)acetamide
CID 41161775
N-(3-methylsulfanylphenyl)-2-(2-nitrophenoxy)acetamide
CID 7900288
ethyl 4-[[2-(2-nitrophenoxy)acetyl]amino]benzoate
CID 717216
ethyl 3-[[2-(2-nitrophenoxy)acetyl]amino]benzoate
CID 717219
N-ethyl-2-(2-nitrophenoxy)acetamide
CID 2500383
2-(2-nitrophenoxy)-N-[4-(1-phenylethylamino)phenyl]acetamide
CID 55986783
4-tert-butyl-N-[3-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]benzamide
CID 3894529

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dipropoxyphenyl)-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-(3,4-dipropoxyphenyl)-2-(2-nitrophenoxy)acetamide (CID 7924135) is N-(3,4-dipropoxyphenyl)-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-(3,4-dipropoxyphenyl)-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-(3,4-dipropoxyphenyl)-2-(2-nitrophenoxy)acetamide is CCCOc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1OCCC.
What is the InChIKey of N-(3,4-dipropoxyphenyl)-2-(2-nitrophenoxy)acetamide?
The InChIKey is JAPQHAFEPDTGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6/c1-3-11-26-18-10-9-15(13-19(18)27-12-4-2)21-20(23)14-28-17-8-6-5-7-16(17)22(24)25/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,21,23).
What are the key properties of N-(3,4-dipropoxyphenyl)-2-(2-nitrophenoxy)acetamide?
N-(3,4-dipropoxyphenyl)-2-(2-nitrophenoxy)acetamide has a molecular weight of 388.42 g/mol, XLogP of 4.19, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dipropoxyphenyl)-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 7924135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).