2-[[(4-nitrophenoxy)-phenoxyphosphanyl]amino]propanal

C15H15N2O5P — CID 144629151

IUPAC2-[[(4-nitrophenoxy)-phenoxyphosphanyl]amino]propanal
SMILESCC(C=O)NP(Oc1ccccc1)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H15N2O5P/c1-12(11-18)16-23(21-14-5-3-2-4-6-14)22-15-9-7-13(8-10-15)17(19)20/h2-12,16H,1H3
InChIKeySQRQWMNQDCSXIM-UHFFFAOYSA-N
MW334.27 g/mol
LogP3.46
Rot. Bonds8

About 2-[[(4-nitrophenoxy)-phenoxyphosphanyl]amino]propanal

2-[[(4-nitrophenoxy)-phenoxyphosphanyl]amino]propanal (PubChem CID 144629151) has the molecular formula C15H15N2O5P and a molecular weight of 334.27 g/mol. Its IUPAC name is 2-[[(4-nitrophenoxy)-phenoxyphosphanyl]amino]propanal.

Molecular Properties

Compound Name2-[[(4-nitrophenoxy)-phenoxyphosphanyl]amino]propanal
PubChem CID144629151
Molecular FormulaC15H15N2O5P
Molecular Weight334.27 g/mol
Exact Mass334.07
IUPAC Name2-[[(4-nitrophenoxy)-phenoxyphosphanyl]amino]propanal
SMILESCC(C=O)NP(Oc1ccccc1)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H15N2O5P/c1-12(11-18)16-23(21-14-5-3-2-4-6-14)22-15-9-7-13(8-10-15)17(19)20/h2-12,16H,1H3
InChIKeySQRQWMNQDCSXIM-UHFFFAOYSA-N
XLogP3.46
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.27
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

dimethyl-(4-nitrophenyl)-phenylphosphanium
CID 140606508
ethane;pentan-3-yl 2-[[(4-nitrophenoxy)-phenoxyphosphanyl]amino]acetate
CID 156835184
1-(4-nitrophenoxy)-3-phenoxypropan-2-ol
CID 10493641
(4-nitrophenyl) phenyl propan-2-yl phosphate
CID 11393558
2-[[(4-nitrophenoxy)-phenoxyphosphoryl]amino]propanoic acid
CID 166731814
2-[[(4-nitrophenoxy)-phenoxyphosphoryl]amino]propanoic acid
CID 121344289
1-(4-nitrophenoxy)ethyl-(2-phenylethenyl)silane
CID 154115926
1-nitro-4-(1-phenylethyl)benzene
CID 11790935
formyl chloride;nitrobenzene;hydrate
CID 158709717
(2S)-N-(4-nitrophenyl)-2-phenoxypropanamide
CID 40543008
4-nitrophenol;phenyl hypochlorite
CID 174923646
1-benzhydryloxy-4-nitrobenzene
CID 7434051

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-nitrophenoxy)-phenoxyphosphanyl]amino]propanal?
The IUPAC name of 2-[[(4-nitrophenoxy)-phenoxyphosphanyl]amino]propanal (CID 144629151) is 2-[[(4-nitrophenoxy)-phenoxyphosphanyl]amino]propanal.
What is the SMILES notation for 2-[[(4-nitrophenoxy)-phenoxyphosphanyl]amino]propanal?
The canonical SMILES for 2-[[(4-nitrophenoxy)-phenoxyphosphanyl]amino]propanal is CC(C=O)NP(Oc1ccccc1)Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[[(4-nitrophenoxy)-phenoxyphosphanyl]amino]propanal?
The InChIKey is SQRQWMNQDCSXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N2O5P/c1-12(11-18)16-23(21-14-5-3-2-4-6-14)22-15-9-7-13(8-10-15)17(19)20/h2-12,16H,1H3.
What are the key properties of 2-[[(4-nitrophenoxy)-phenoxyphosphanyl]amino]propanal?
2-[[(4-nitrophenoxy)-phenoxyphosphanyl]amino]propanal has a molecular weight of 334.27 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-nitrophenoxy)-phenoxyphosphanyl]amino]propanal is sourced from PubChem (CID 144629151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).