3-[2-(4-methoxyphenoxy)ethyl-methylamino]-N-(3-nitrophenyl)propanamide

C19H23N3O5 — CID 78840441

IUPAC3-[2-(4-methoxyphenoxy)ethyl-methylamino]-N-(3-nitrophenyl)propanamide
SMILESCOc1ccc(OCCN(C)CCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H23N3O5/c1-21(12-13-27-18-8-6-17(26-2)7-9-18)11-10-19(23)20-15-4-3-5-16(14-15)22(24)25/h3-9,14H,10-13H2,1-2H3,(H,20,23)
InChIKeyCARXZRXXVVFOQJ-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.94
Rot. Bonds10

About 3-[2-(4-methoxyphenoxy)ethyl-methylamino]-N-(3-nitrophenyl)propanamide

3-[2-(4-methoxyphenoxy)ethyl-methylamino]-N-(3-nitrophenyl)propanamide (PubChem CID 78840441) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenoxy)ethyl-methylamino]-N-(3-nitrophenyl)propanamide.

Molecular Properties

Compound Name3-[2-(4-methoxyphenoxy)ethyl-methylamino]-N-(3-nitrophenyl)propanamide
PubChem CID78840441
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Name3-[2-(4-methoxyphenoxy)ethyl-methylamino]-N-(3-nitrophenyl)propanamide
SMILESCOc1ccc(OCCN(C)CCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H23N3O5/c1-21(12-13-27-18-8-6-17(26-2)7-9-18)11-10-19(23)20-15-4-3-5-16(14-15)22(24)25/h3-9,14H,10-13H2,1-2H3,(H,20,23)
InChIKeyCARXZRXXVVFOQJ-UHFFFAOYSA-N
XLogP2.94
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.94
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

2-(4-methoxyphenoxy)-N-(3-nitrophenyl)acetamide
CID 690203
N-(4-methoxyphenyl)-2-[methyl-[2-(3-nitroanilino)-2-oxoethyl]amino]acetamide
CID 2658350
2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-nitrophenyl)acetamide
CID 8761647
1-[2-(4-methoxyphenoxy)ethyl]-3-(3-nitrophenyl)urea
CID 27734408
3-(4-methoxyphenyl)sulfonyl-N-(3-nitrophenyl)propanamide
CID 4307145
2-[(4-methoxyphenyl)methyl-[2-(3-nitroanilino)-2-oxoethyl]amino]-N-(3-nitrophenyl)acetamide
CID 3933915
3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-methoxy-4-nitrophenyl)propanamide
CID 38300922
3-(methylamino)-N-(3-nitrophenyl)propanamide
CID 60716317
N-(3-cyanophenyl)-3-[methyl(2-phenoxyethyl)amino]propanamide
CID 33477524
4-(3-bromophenoxy)-N-(3-nitrophenyl)butanamide
CID 7965665
(3S)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)-N-(3-nitrophenyl)propanamide
CID 92648031
2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9288795

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenoxy)ethyl-methylamino]-N-(3-nitrophenyl)propanamide?
The IUPAC name of 3-[2-(4-methoxyphenoxy)ethyl-methylamino]-N-(3-nitrophenyl)propanamide (CID 78840441) is 3-[2-(4-methoxyphenoxy)ethyl-methylamino]-N-(3-nitrophenyl)propanamide.
What is the SMILES notation for 3-[2-(4-methoxyphenoxy)ethyl-methylamino]-N-(3-nitrophenyl)propanamide?
The canonical SMILES for 3-[2-(4-methoxyphenoxy)ethyl-methylamino]-N-(3-nitrophenyl)propanamide is COc1ccc(OCCN(C)CCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenoxy)ethyl-methylamino]-N-(3-nitrophenyl)propanamide?
The InChIKey is CARXZRXXVVFOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-21(12-13-27-18-8-6-17(26-2)7-9-18)11-10-19(23)20-15-4-3-5-16(14-15)22(24)25/h3-9,14H,10-13H2,1-2H3,(H,20,23).
What are the key properties of 3-[2-(4-methoxyphenoxy)ethyl-methylamino]-N-(3-nitrophenyl)propanamide?
3-[2-(4-methoxyphenoxy)ethyl-methylamino]-N-(3-nitrophenyl)propanamide has a molecular weight of 373.41 g/mol, XLogP of 2.94, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenoxy)ethyl-methylamino]-N-(3-nitrophenyl)propanamide is sourced from PubChem (CID 78840441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).