2-nitro-N-(4-propoxyphenyl)acetamide

C11H14N2O4 — CID 174418161

IUPAC2-nitro-N-(4-propoxyphenyl)acetamide
SMILESCCCOc1ccc(NC(=O)C[N+](=O)[O-])cc1
InChIInChI=1S/C11H14N2O4/c1-2-7-17-10-5-3-9(4-6-10)12-11(14)8-13(15)16/h3-6H,2,7-8H2,1H3,(H,12,14)
InChIKeyFLBJYAZXYQOYKU-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.69
Rot. Bonds6

About 2-nitro-N-(4-propoxyphenyl)acetamide

2-nitro-N-(4-propoxyphenyl)acetamide (PubChem CID 174418161) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-nitro-N-(4-propoxyphenyl)acetamide.

Molecular Properties

Compound Name2-nitro-N-(4-propoxyphenyl)acetamide
PubChem CID174418161
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-nitro-N-(4-propoxyphenyl)acetamide
SMILESCCCOc1ccc(NC(=O)C[N+](=O)[O-])cc1
InChIInChI=1S/C11H14N2O4/c1-2-7-17-10-5-3-9(4-6-10)12-11(14)8-13(15)16/h3-6H,2,7-8H2,1H3,(H,12,14)
InChIKeyFLBJYAZXYQOYKU-UHFFFAOYSA-N
XLogP1.69
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(methylamino)-N-(4-propoxyphenyl)acetamide
CID 54820943
2-(4-propoxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54820383
3-chloro-N-(4-propoxyphenyl)propanamide
CID 62329515
N-(4-methoxyphenyl)-2-(4-propoxyphenoxy)acetamide
CID 4732668
2-(4-methylphenoxy)-N-(4-propoxyphenyl)acetamide
CID 4943007
N-[4-[[(4-propoxybenzoyl)amino]carbamoyl]phenyl]butanamide
CID 4938631
2-(cyclopropylmethylamino)-N-(4-propoxyphenyl)acetamide
CID 55060300
N-(4-butoxyphenyl)butanamide
CID 4939679
propyl 4-[[2-(4-nitrophenoxy)acetyl]amino]benzoate
CID 4501659
N-(4-butoxyphenyl)-2-(ethylamino)acetamide
CID 54821038
2-nitro-N-(4-nitrophenyl)acetamide
CID 19743312
2-(4-tert-butylphenoxy)-N-(4-propoxyphenyl)acetamide
CID 4945067

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-(4-propoxyphenyl)acetamide?
The IUPAC name of 2-nitro-N-(4-propoxyphenyl)acetamide (CID 174418161) is 2-nitro-N-(4-propoxyphenyl)acetamide.
What is the SMILES notation for 2-nitro-N-(4-propoxyphenyl)acetamide?
The canonical SMILES for 2-nitro-N-(4-propoxyphenyl)acetamide is CCCOc1ccc(NC(=O)C[N+](=O)[O-])cc1.
What is the InChIKey of 2-nitro-N-(4-propoxyphenyl)acetamide?
The InChIKey is FLBJYAZXYQOYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-2-7-17-10-5-3-9(4-6-10)12-11(14)8-13(15)16/h3-6H,2,7-8H2,1H3,(H,12,14).
What are the key properties of 2-nitro-N-(4-propoxyphenyl)acetamide?
2-nitro-N-(4-propoxyphenyl)acetamide has a molecular weight of 238.24 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-(4-propoxyphenyl)acetamide is sourced from PubChem (CID 174418161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).