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

C13H19N3O3 — CID 62325144

IUPACN-ethyl-3-[2-(4-nitrophenyl)ethylamino]propanamide
SMILESCCNC(=O)CCNCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H19N3O3/c1-2-15-13(17)8-10-14-9-7-11-3-5-12(6-4-11)16(18)19/h3-6,14H,2,7-10H2,1H3,(H,15,17)
InChIKeyMLSYYQNMMYPFQS-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.25
Rot. Bonds8

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

N-ethyl-3-[2-(4-nitrophenyl)ethylamino]propanamide (PubChem CID 62325144) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-ethyl-3-[2-(4-nitrophenyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[2-(4-nitrophenyl)ethylamino]propanamide
PubChem CID62325144
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-ethyl-3-[2-(4-nitrophenyl)ethylamino]propanamide
SMILESCCNC(=O)CCNCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H19N3O3/c1-2-15-13(17)8-10-14-9-7-11-3-5-12(6-4-11)16(18)19/h3-6,14H,2,7-10H2,1H3,(H,15,17)
InChIKeyMLSYYQNMMYPFQS-UHFFFAOYSA-N
XLogP1.25
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-nitrophenyl)ethyl]pentanamide
CID 110294427
4-[2-(4-nitrophenyl)ethylamino]butanoic acid
CID 43520095
N-[2-(4-nitrophenyl)ethyl]-2-phenylethanamine
CID 43519927
N'-[2-(4-nitrophenyl)ethyl]-N-propyloxamide
CID 23279451
2-chloro-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 22505904
4-[2-(4-nitrophenyl)ethylamino]butan-2-ol
CID 64912488
methyl 2-[2-(4-nitrophenyl)ethylamino]acetate
CID 43519885
2-(methylamino)-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 61219292
2-methoxy-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 47367990
3,3-dimethyl-N-[2-(4-nitrophenyl)ethyl]butan-1-amine
CID 61221202
2-amino-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 61218715
N-(3-methylbutan-2-yl)-2-[2-(4-nitrophenyl)ethylamino]acetamide
CID 61489263

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[2-(4-nitrophenyl)ethylamino]propanamide?
The IUPAC name of N-ethyl-3-[2-(4-nitrophenyl)ethylamino]propanamide (CID 62325144) is N-ethyl-3-[2-(4-nitrophenyl)ethylamino]propanamide.
What is the SMILES notation for N-ethyl-3-[2-(4-nitrophenyl)ethylamino]propanamide?
The canonical SMILES for N-ethyl-3-[2-(4-nitrophenyl)ethylamino]propanamide is CCNC(=O)CCNCCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-ethyl-3-[2-(4-nitrophenyl)ethylamino]propanamide?
The InChIKey is MLSYYQNMMYPFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-2-15-13(17)8-10-14-9-7-11-3-5-12(6-4-11)16(18)19/h3-6,14H,2,7-10H2,1H3,(H,15,17).
What are the key properties of N-ethyl-3-[2-(4-nitrophenyl)ethylamino]propanamide?
N-ethyl-3-[2-(4-nitrophenyl)ethylamino]propanamide has a molecular weight of 265.31 g/mol, XLogP of 1.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[2-(4-nitrophenyl)ethylamino]propanamide is sourced from PubChem (CID 62325144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).