N-ethyl-N-(3-hydroxypropyl)-2-(2-nitrophenoxy)acetamide

C13H18N2O5 — CID 115771500

IUPACN-ethyl-N-(3-hydroxypropyl)-2-(2-nitrophenoxy)acetamide
SMILESCCN(CCCO)C(=O)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O5/c1-2-14(8-5-9-16)13(17)10-20-12-7-4-3-6-11(12)15(18)19/h3-4,6-7,16H,2,5,8-10H2,1H3
InChIKeyLORAUTRPZVLCHW-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.20
Rot. Bonds8

About N-ethyl-N-(3-hydroxypropyl)-2-(2-nitrophenoxy)acetamide

N-ethyl-N-(3-hydroxypropyl)-2-(2-nitrophenoxy)acetamide (PubChem CID 115771500) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-ethyl-N-(3-hydroxypropyl)-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-ethyl-N-(3-hydroxypropyl)-2-(2-nitrophenoxy)acetamide
PubChem CID115771500
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC NameN-ethyl-N-(3-hydroxypropyl)-2-(2-nitrophenoxy)acetamide
SMILESCCN(CCCO)C(=O)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O5/c1-2-14(8-5-9-16)13(17)10-20-12-7-4-3-6-11(12)15(18)19/h3-4,6-7,16H,2,5,8-10H2,1H3
InChIKeyLORAUTRPZVLCHW-UHFFFAOYSA-N
XLogP1.20
TPSA92.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.20
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

N,N-diethyl-4-(2-nitrophenoxy)butanamide
CID 84556302
3-(2-nitrophenoxy)propan-1-ol
CID 18791292
N,N-diethyl-2-[5-(hydroxymethyl)-2-nitrophenoxy]acetamide
CID 62115032
2-[ethyl-[2-(2-nitrophenoxy)ethyl]amino]ethanol
CID 60509442
2-[ethyl-[2-(2-nitrophenoxy)acetyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 8960861
N-(4-hydroxybutyl)-2-(2-nitrophenoxy)acetamide
CID 106843022
(E)-N-ethyl-N-(3-hydroxypropyl)-3-(2-nitrophenyl)prop-2-enamide
CID 115771758
N-ethyl-2-(2-nitrophenoxy)acetamide
CID 2500383
N-ethyl-N-(2-hydroxyethyl)-2-(4-nitrophenoxy)acetamide
CID 60655198
2-(2-ethoxyphenoxy)-N,N-diethylacetamide
CID 60625239
2-[4-(aminomethyl)-2-nitrophenoxy]-N,N-diethylacetamide
CID 43137713
N,N-diethyl-2-(4-methylsulfonyl-2-nitrophenoxy)acetamide
CID 21209849

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-hydroxypropyl)-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-ethyl-N-(3-hydroxypropyl)-2-(2-nitrophenoxy)acetamide (CID 115771500) is N-ethyl-N-(3-hydroxypropyl)-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-ethyl-N-(3-hydroxypropyl)-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-ethyl-N-(3-hydroxypropyl)-2-(2-nitrophenoxy)acetamide is CCN(CCCO)C(=O)COc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-ethyl-N-(3-hydroxypropyl)-2-(2-nitrophenoxy)acetamide?
The InChIKey is LORAUTRPZVLCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-2-14(8-5-9-16)13(17)10-20-12-7-4-3-6-11(12)15(18)19/h3-4,6-7,16H,2,5,8-10H2,1H3.
What are the key properties of N-ethyl-N-(3-hydroxypropyl)-2-(2-nitrophenoxy)acetamide?
N-ethyl-N-(3-hydroxypropyl)-2-(2-nitrophenoxy)acetamide has a molecular weight of 282.30 g/mol, XLogP of 1.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-hydroxypropyl)-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 115771500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).