N-[3-(cyclopropylmethoxy)propyl]-2-(3-nitrophenoxy)acetamide

C15H20N2O5 — CID 46408206

IUPACN-[3-(cyclopropylmethoxy)propyl]-2-(3-nitrophenoxy)acetamide
SMILESO=C(COc1cccc([N+](=O)[O-])c1)NCCCOCC1CC1
InChIInChI=1S/C15H20N2O5/c18-15(16-7-2-8-21-10-12-5-6-12)11-22-14-4-1-3-13(9-14)17(19)20/h1,3-4,9,12H,2,5-8,10-11H2,(H,16,18)
InChIKeyBKUWCXGIYWKXAV-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.91
Rot. Bonds10

About N-[3-(cyclopropylmethoxy)propyl]-2-(3-nitrophenoxy)acetamide

N-[3-(cyclopropylmethoxy)propyl]-2-(3-nitrophenoxy)acetamide (PubChem CID 46408206) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)propyl]-2-(3-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)propyl]-2-(3-nitrophenoxy)acetamide
PubChem CID46408206
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC NameN-[3-(cyclopropylmethoxy)propyl]-2-(3-nitrophenoxy)acetamide
SMILESO=C(COc1cccc([N+](=O)[O-])c1)NCCCOCC1CC1
InChIInChI=1S/C15H20N2O5/c18-15(16-7-2-8-21-10-12-5-6-12)11-22-14-4-1-3-13(9-14)17(19)20/h1,3-4,9,12H,2,5-8,10-11H2,(H,16,18)
InChIKeyBKUWCXGIYWKXAV-UHFFFAOYSA-N
XLogP1.91
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-cyclopropyl-2-(3-nitrophenoxy)acetamide
CID 7865440
N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-(3-nitrophenoxy)acetamide
CID 103767321
2-hydroxy-4-[[2-(3-nitrophenoxy)acetyl]amino]butanoic acid
CID 107832577
2-chloro-N-[3-(cyclopropylmethoxy)propyl]-5-nitrobenzamide
CID 60668843
N-(3-methylcyclopentyl)-2-(3-nitrophenoxy)acetamide
CID 114549924
2-chloro-N-[2-[[2-(3-nitrophenoxy)acetyl]amino]ethyl]benzamide
CID 55659202
N-(3-ethoxypropyl)-2-(4-nitrophenoxy)acetamide
CID 27680554
1-(cyclohexylmethoxy)-3-nitrobenzene
CID 112800827
N-[(2R)-3-methylbutan-2-yl]-2-(3-nitrophenoxy)acetamide
CID 7865052
N-[3-(cyclopropylmethoxy)propyl]-5-nitrofuran-2-carboxamide
CID 47117300
N-(2-methylcyclohexyl)-2-(3-nitrophenoxy)acetamide
CID 18077039
N-[3-(cyclopropylmethoxy)propyl]-2-hydroxy-3-nitrobenzamide
CID 103746319

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-2-(3-nitrophenoxy)acetamide?
The IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-2-(3-nitrophenoxy)acetamide (CID 46408206) is N-[3-(cyclopropylmethoxy)propyl]-2-(3-nitrophenoxy)acetamide.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)propyl]-2-(3-nitrophenoxy)acetamide?
The canonical SMILES for N-[3-(cyclopropylmethoxy)propyl]-2-(3-nitrophenoxy)acetamide is O=C(COc1cccc([N+](=O)[O-])c1)NCCCOCC1CC1.
What is the InChIKey of N-[3-(cyclopropylmethoxy)propyl]-2-(3-nitrophenoxy)acetamide?
The InChIKey is BKUWCXGIYWKXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c18-15(16-7-2-8-21-10-12-5-6-12)11-22-14-4-1-3-13(9-14)17(19)20/h1,3-4,9,12H,2,5-8,10-11H2,(H,16,18).
What are the key properties of N-[3-(cyclopropylmethoxy)propyl]-2-(3-nitrophenoxy)acetamide?
N-[3-(cyclopropylmethoxy)propyl]-2-(3-nitrophenoxy)acetamide has a molecular weight of 308.33 g/mol, XLogP of 1.91, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)propyl]-2-(3-nitrophenoxy)acetamide is sourced from PubChem (CID 46408206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).