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

C11H12N2O4 — CID 7865440

IUPACN-cyclopropyl-2-(3-nitrophenoxy)acetamide
SMILESO=C(COc1cccc([N+](=O)[O-])c1)NC1CC1
InChIInChI=1S/C11H12N2O4/c14-11(12-8-4-5-8)7-17-10-3-1-2-9(6-10)13(15)16/h1-3,6,8H,4-5,7H2,(H,12,14)
InChIKeyNTYVNOFOENJWQW-UHFFFAOYSA-N
MW236.23 g/mol
LogP1.25
Rot. Bonds5

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

N-cyclopropyl-2-(3-nitrophenoxy)acetamide (PubChem CID 7865440) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is N-cyclopropyl-2-(3-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(3-nitrophenoxy)acetamide
PubChem CID7865440
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC NameN-cyclopropyl-2-(3-nitrophenoxy)acetamide
SMILESO=C(COc1cccc([N+](=O)[O-])c1)NC1CC1
InChIInChI=1S/C11H12N2O4/c14-11(12-8-4-5-8)7-17-10-3-1-2-9(6-10)13(15)16/h1-3,6,8H,4-5,7H2,(H,12,14)
InChIKeyNTYVNOFOENJWQW-UHFFFAOYSA-N
XLogP1.25
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.25
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

N-(3-methylcyclopentyl)-2-(3-nitrophenoxy)acetamide
CID 114549924
N-(2-methylcyclohexyl)-2-(3-nitrophenoxy)acetamide
CID 18077039
N-(4-hydroxycyclohexyl)-2-(4-nitrophenoxy)acetamide
CID 43389141
N-(1-hydroxy-2-methylpropan-2-yl)-2-(3-nitrophenoxy)acetamide
CID 43500706
N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-2-(3-nitrophenoxy)acetamide
CID 95179514
N-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]-2-(3-nitrophenoxy)acetamide
CID 95179512
1-[[2-(3-nitrophenoxy)acetyl]amino]cyclopropane-1-carboxylic acid
CID 65452394
N-[3-(cyclopropylmethoxy)propyl]-2-(3-nitrophenoxy)acetamide
CID 46408206
N-[(2R)-3-methylbutan-2-yl]-2-(3-nitrophenoxy)acetamide
CID 7865052
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(3-nitrophenoxy)acetamide
CID 7865319
N-(4-hydroxycyclohexyl)-2-(3-methylphenoxy)acetamide
CID 17453727
2-[3-(2-aminoethyl)phenoxy]-N-cyclopropylacetamide
CID 54930762

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(3-nitrophenoxy)acetamide?
The IUPAC name of N-cyclopropyl-2-(3-nitrophenoxy)acetamide (CID 7865440) is N-cyclopropyl-2-(3-nitrophenoxy)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(3-nitrophenoxy)acetamide?
The canonical SMILES for N-cyclopropyl-2-(3-nitrophenoxy)acetamide is O=C(COc1cccc([N+](=O)[O-])c1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(3-nitrophenoxy)acetamide?
The InChIKey is NTYVNOFOENJWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c14-11(12-8-4-5-8)7-17-10-3-1-2-9(6-10)13(15)16/h1-3,6,8H,4-5,7H2,(H,12,14).
What are the key properties of N-cyclopropyl-2-(3-nitrophenoxy)acetamide?
N-cyclopropyl-2-(3-nitrophenoxy)acetamide has a molecular weight of 236.23 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(3-nitrophenoxy)acetamide is sourced from PubChem (CID 7865440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).