2-[ethyl-[2-(3-nitrophenoxy)acetyl]amino]-N-propan-2-ylacetamide

C15H21N3O5 — CID 32711134

IUPAC2-[ethyl-[2-(3-nitrophenoxy)acetyl]amino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)C(=O)COc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H21N3O5/c1-4-17(9-14(19)16-11(2)3)15(20)10-23-13-7-5-6-12(8-13)18(21)22/h5-8,11H,4,9-10H2,1-3H3,(H,16,19)
InChIKeyOJMLJVURIUTOQY-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.35
Rot. Bonds8

About 2-[ethyl-[2-(3-nitrophenoxy)acetyl]amino]-N-propan-2-ylacetamide

2-[ethyl-[2-(3-nitrophenoxy)acetyl]amino]-N-propan-2-ylacetamide (PubChem CID 32711134) has the molecular formula C15H21N3O5 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-[ethyl-[2-(3-nitrophenoxy)acetyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[ethyl-[2-(3-nitrophenoxy)acetyl]amino]-N-propan-2-ylacetamide
PubChem CID32711134
Molecular FormulaC15H21N3O5
Molecular Weight323.35 g/mol
Exact Mass323.15
IUPAC Name2-[ethyl-[2-(3-nitrophenoxy)acetyl]amino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)C(=O)COc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H21N3O5/c1-4-17(9-14(19)16-11(2)3)15(20)10-23-13-7-5-6-12(8-13)18(21)22/h5-8,11H,4,9-10H2,1-3H3,(H,16,19)
InChIKeyOJMLJVURIUTOQY-UHFFFAOYSA-N
XLogP1.35
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.35
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

2-[ethyl-[2-(3-methoxyphenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 78767293
N-[(2R)-3-methylbutan-2-yl]-2-(3-nitrophenoxy)acetamide
CID 7865052
N-methoxy-N-methyl-2-(3-nitrophenoxy)acetamide
CID 55027939
N-methyl-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide
CID 8586850
2-[[2-(4-benzoylphenoxy)acetyl]-ethylamino]-N-propan-2-ylacetamide
CID 3577124
2-[[2-(3-nitrophenoxy)acetyl]amino]butanoic acid
CID 43469185
N-tert-butyl-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide
CID 8586964
2-[2-methoxyethyl-[2-(3-nitrophenoxy)acetyl]amino]acetic acid
CID 119188944
N,N-bis(2-cyanoethyl)-2-(3-nitrophenoxy)acetamide
CID 32698814
N-(1-hydroxypentan-3-yl)-2-(3-nitrophenoxy)acetamide
CID 115735196
N-[4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-nitrobenzamide
CID 9253557
2-[[2-(2,4-dimethylphenoxy)acetyl]-ethylamino]-N-propan-2-ylacetamide
CID 18157857

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(3-nitrophenoxy)acetyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[ethyl-[2-(3-nitrophenoxy)acetyl]amino]-N-propan-2-ylacetamide (CID 32711134) is 2-[ethyl-[2-(3-nitrophenoxy)acetyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[ethyl-[2-(3-nitrophenoxy)acetyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[ethyl-[2-(3-nitrophenoxy)acetyl]amino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)C(=O)COc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-[ethyl-[2-(3-nitrophenoxy)acetyl]amino]-N-propan-2-ylacetamide?
The InChIKey is OJMLJVURIUTOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5/c1-4-17(9-14(19)16-11(2)3)15(20)10-23-13-7-5-6-12(8-13)18(21)22/h5-8,11H,4,9-10H2,1-3H3,(H,16,19).
What are the key properties of 2-[ethyl-[2-(3-nitrophenoxy)acetyl]amino]-N-propan-2-ylacetamide?
2-[ethyl-[2-(3-nitrophenoxy)acetyl]amino]-N-propan-2-ylacetamide has a molecular weight of 323.35 g/mol, XLogP of 1.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(3-nitrophenoxy)acetyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 32711134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).