N-[3-(3-phenoxyphenyl)propyl]nitrous amide

C15H16N2O2 — CID 19736886

IUPACN-[3-(3-phenoxyphenyl)propyl]nitrous amide
SMILESO=NNCCCc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C15H16N2O2/c18-17-16-11-5-7-13-6-4-10-15(12-13)19-14-8-2-1-3-9-14/h1-4,6,8-10,12H,5,7,11H2,(H,16,18)
InChIKeyDIKQJZGOCDJJHS-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.68
Rot. Bonds7

About N-[3-(3-phenoxyphenyl)propyl]nitrous amide

N-[3-(3-phenoxyphenyl)propyl]nitrous amide (PubChem CID 19736886) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[3-(3-phenoxyphenyl)propyl]nitrous amide.

Molecular Properties

Compound NameN-[3-(3-phenoxyphenyl)propyl]nitrous amide
PubChem CID19736886
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC NameN-[3-(3-phenoxyphenyl)propyl]nitrous amide
SMILESO=NNCCCc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C15H16N2O2/c18-17-16-11-5-7-13-6-4-10-15(12-13)19-14-8-2-1-3-9-14/h1-4,6,8-10,12H,5,7,11H2,(H,16,18)
InChIKeyDIKQJZGOCDJJHS-UHFFFAOYSA-N
XLogP3.68
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-phenoxy-3-(3-phenylpropyl)benzene
CID 173282204
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
N-[3-(3-phenoxyphenyl)propyl]propanamide
CID 58062216
1-(3-chloropropyl)-3-phenoxybenzene
CID 14030253
1-(3-iodopropyl)-3-(4-phenoxyphenoxy)benzene
CID 25223171
6-(3-phenoxyphenyl)hexan-1-ol
CID 70473652
5-(3-phenoxyphenyl)pentan-1-amine
CID 175525700
dipotassium;hydride;[2-oxo-2-[3-(3-phenoxyphenyl)propylamino]ethyl]phosphonic acid
CID 173007799
1-(5-fluoro-4-methylpentyl)-3-phenoxybenzene
CID 151721910
1-fluoro-4-[3-(6-phenylhexyl)phenoxy]benzene
CID 58531395
1-(2-chloro-2-nitrosoethyl)-3-phenoxybenzene
CID 91092835
1-(4-cyclopropylbutyl)-3-phenoxybenzene
CID 150391471

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-phenoxyphenyl)propyl]nitrous amide?
The IUPAC name of N-[3-(3-phenoxyphenyl)propyl]nitrous amide (CID 19736886) is N-[3-(3-phenoxyphenyl)propyl]nitrous amide.
What is the SMILES notation for N-[3-(3-phenoxyphenyl)propyl]nitrous amide?
The canonical SMILES for N-[3-(3-phenoxyphenyl)propyl]nitrous amide is O=NNCCCc1cccc(Oc2ccccc2)c1.
What is the InChIKey of N-[3-(3-phenoxyphenyl)propyl]nitrous amide?
The InChIKey is DIKQJZGOCDJJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-17-16-11-5-7-13-6-4-10-15(12-13)19-14-8-2-1-3-9-14/h1-4,6,8-10,12H,5,7,11H2,(H,16,18).
What are the key properties of N-[3-(3-phenoxyphenyl)propyl]nitrous amide?
N-[3-(3-phenoxyphenyl)propyl]nitrous amide has a molecular weight of 256.31 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-phenoxyphenyl)propyl]nitrous amide is sourced from PubChem (CID 19736886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).