N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-(2-nitro-1-phenylpropyl)hydroxylamine

C19H22N2O5 — CID 24795365

IUPACN-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-(2-nitro-1-phenylpropyl)hydroxylamine
SMILESCC(Cc1ccc2c(c1)OCO2)N(O)C(c1ccccc1)C(C)[N+](=O)[O-]
InChIInChI=1S/C19H22N2O5/c1-13(10-15-8-9-17-18(11-15)26-12-25-17)20(22)19(14(2)21(23)24)16-6-4-3-5-7-16/h3-9,11,13-14,19,22H,10,12H2,1-2H3
InChIKeyAUOINUXFDGUOMG-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.44
Rot. Bonds7

About N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-(2-nitro-1-phenylpropyl)hydroxylamine

N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-(2-nitro-1-phenylpropyl)hydroxylamine (PubChem CID 24795365) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-(2-nitro-1-phenylpropyl)hydroxylamine.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-(2-nitro-1-phenylpropyl)hydroxylamine
PubChem CID24795365
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC NameN-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-(2-nitro-1-phenylpropyl)hydroxylamine
SMILESCC(Cc1ccc2c(c1)OCO2)N(O)C(c1ccccc1)C(C)[N+](=O)[O-]
InChIInChI=1S/C19H22N2O5/c1-13(10-15-8-9-17-18(11-15)26-12-25-17)20(22)19(14(2)21(23)24)16-6-4-3-5-7-16/h3-9,11,13-14,19,22H,10,12H2,1-2H3
InChIKeyAUOINUXFDGUOMG-UHFFFAOYSA-N
XLogP3.44
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

3-(1,3-benzodioxol-5-yl)-2-methylpropanoic acid
CID 19614615
1-(1,3-benzodioxol-5-yl)-N,N-dimethylpropan-2-amine
CID 551630
5-[(1S)-2-(1,3-benzodioxol-5-yl)-1-phenylethyl]-1,3-benzodioxole
CID 154709114
(3R)-5-(1,3-benzodioxol-5-yl)-4-methyl-3-phenylpentanal
CID 134961689
N-(1,3-benzodioxol-5-ylmethyl)-4-nitro-N-(1-phenylethyl)benzamide
CID 42724863
N-(1,3-benzodioxol-5-ylmethyl)-3-nitro-N-(1-phenylethyl)benzamide
CID 42724864
(2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-ol
CID 16720165
3-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]butanoic acid
CID 62827804
N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N,2,2-trimethylpropanamide
CID 166468601
(2R)-1-(1,3-benzodioxol-5-yl)-N-[methoxymethyl(phenoxy)phosphoryl]-N-methylpropan-2-amine
CID 168847346
N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-3-hydroxy-N-methylpropanamide
CID 166468308
1-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-1-(1-phenylethyl)urea
CID 42725590

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-(2-nitro-1-phenylpropyl)hydroxylamine?
The IUPAC name of N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-(2-nitro-1-phenylpropyl)hydroxylamine (CID 24795365) is N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-(2-nitro-1-phenylpropyl)hydroxylamine.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-(2-nitro-1-phenylpropyl)hydroxylamine?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-(2-nitro-1-phenylpropyl)hydroxylamine is CC(Cc1ccc2c(c1)OCO2)N(O)C(c1ccccc1)C(C)[N+](=O)[O-].
What is the InChIKey of N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-(2-nitro-1-phenylpropyl)hydroxylamine?
The InChIKey is AUOINUXFDGUOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-13(10-15-8-9-17-18(11-15)26-12-25-17)20(22)19(14(2)21(23)24)16-6-4-3-5-7-16/h3-9,11,13-14,19,22H,10,12H2,1-2H3.
What are the key properties of N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-(2-nitro-1-phenylpropyl)hydroxylamine?
N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-(2-nitro-1-phenylpropyl)hydroxylamine has a molecular weight of 358.39 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-(2-nitro-1-phenylpropyl)hydroxylamine is sourced from PubChem (CID 24795365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).