N-(3-ethoxypropylcarbamoyl)-2-(2-nitrophenoxy)acetamide

C14H19N3O6 — CID 4823165

IUPACN-(3-ethoxypropylcarbamoyl)-2-(2-nitrophenoxy)acetamide
SMILESCCOCCCNC(=O)NC(=O)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O6/c1-2-22-9-5-8-15-14(19)16-13(18)10-23-12-7-4-3-6-11(12)17(20)21/h3-4,6-7H,2,5,8-10H2,1H3,(H2,15,16,18,19)
InChIKeyNUCVCESJZPJTKY-UHFFFAOYSA-N
MW325.32 g/mol
LogP1.23
Rot. Bonds9

About N-(3-ethoxypropylcarbamoyl)-2-(2-nitrophenoxy)acetamide

N-(3-ethoxypropylcarbamoyl)-2-(2-nitrophenoxy)acetamide (PubChem CID 4823165) has the molecular formula C14H19N3O6 and a molecular weight of 325.32 g/mol. Its IUPAC name is N-(3-ethoxypropylcarbamoyl)-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(3-ethoxypropylcarbamoyl)-2-(2-nitrophenoxy)acetamide
PubChem CID4823165
Molecular FormulaC14H19N3O6
Molecular Weight325.32 g/mol
Exact Mass325.13
IUPAC NameN-(3-ethoxypropylcarbamoyl)-2-(2-nitrophenoxy)acetamide
SMILESCCOCCCNC(=O)NC(=O)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O6/c1-2-22-9-5-8-15-14(19)16-13(18)10-23-12-7-4-3-6-11(12)17(20)21/h3-4,6-7H,2,5,8-10H2,1H3,(H2,15,16,18,19)
InChIKeyNUCVCESJZPJTKY-UHFFFAOYSA-N
XLogP1.23
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-chloroethylcarbamoyl)-2-(2-nitrophenoxy)acetamide
CID 141350081
N-[2-(4-ethoxyphenoxy)ethyl]-2-(2-nitrophenoxy)acetamide
CID 27875414
3-ethoxy-N'-[2-(2-nitrophenoxy)acetyl]propanehydrazide
CID 17357929
N-ethyl-2-(2-nitrophenoxy)acetamide
CID 2500383
N-(3-ethoxypropyl)-2-(2-nitrophenyl)acetamide
CID 2179209
N-[[(2S)-butan-2-yl]carbamoyl]-2-(2-nitrophenoxy)acetamide
CID 7819293
N-(4-hydroxybutyl)-2-(2-nitrophenoxy)acetamide
CID 106843022
N-(butylcarbamoyl)-2-(4-chloro-2-nitrophenoxy)acetamide
CID 27457451
N-(4-methylpentyl)-2-(2-nitrophenoxy)acetamide
CID 134023288
N-(3-cyclohexyloxypropyl)-2-(2-nitrophenoxy)acetamide
CID 51222276
N-(4-hydroxypentyl)-2-(2-nitrophenoxy)acetamide
CID 107299515
N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-nitrophenoxy)acetamide
CID 115700067

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropylcarbamoyl)-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-(3-ethoxypropylcarbamoyl)-2-(2-nitrophenoxy)acetamide (CID 4823165) is N-(3-ethoxypropylcarbamoyl)-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-(3-ethoxypropylcarbamoyl)-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-(3-ethoxypropylcarbamoyl)-2-(2-nitrophenoxy)acetamide is CCOCCCNC(=O)NC(=O)COc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(3-ethoxypropylcarbamoyl)-2-(2-nitrophenoxy)acetamide?
The InChIKey is NUCVCESJZPJTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O6/c1-2-22-9-5-8-15-14(19)16-13(18)10-23-12-7-4-3-6-11(12)17(20)21/h3-4,6-7H,2,5,8-10H2,1H3,(H2,15,16,18,19).
What are the key properties of N-(3-ethoxypropylcarbamoyl)-2-(2-nitrophenoxy)acetamide?
N-(3-ethoxypropylcarbamoyl)-2-(2-nitrophenoxy)acetamide has a molecular weight of 325.32 g/mol, XLogP of 1.23, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropylcarbamoyl)-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 4823165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).