hydroxy-oxo-[3-phenyl-3-(phenylmethoxycarbonylamino)propoxy]phosphanium

C17H19NO5P+ — CID 172826308

IUPAChydroxy-oxo-[3-phenyl-3-(phenylmethoxycarbonylamino)propoxy]phosphanium
SMILESO=C(NC(CCO[P+](=O)O)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C17H18NO5P/c19-17(22-13-14-7-3-1-4-8-14)18-16(11-12-23-24(20)21)15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H-,18,19,20,21)/p+1
InChIKeyYOJRKKSNYLHPMC-UHFFFAOYSA-O
MW348.32 g/mol
LogP3.71
Rot. Bonds8

About hydroxy-oxo-[3-phenyl-3-(phenylmethoxycarbonylamino)propoxy]phosphanium

hydroxy-oxo-[3-phenyl-3-(phenylmethoxycarbonylamino)propoxy]phosphanium (PubChem CID 172826308) has the molecular formula C17H19NO5P+ and a molecular weight of 348.32 g/mol. Its IUPAC name is hydroxy-oxo-[3-phenyl-3-(phenylmethoxycarbonylamino)propoxy]phosphanium.

Molecular Properties

Compound Namehydroxy-oxo-[3-phenyl-3-(phenylmethoxycarbonylamino)propoxy]phosphanium
PubChem CID172826308
Molecular FormulaC17H19NO5P+
Molecular Weight348.32 g/mol
Exact Mass348.10
IUPAC Namehydroxy-oxo-[3-phenyl-3-(phenylmethoxycarbonylamino)propoxy]phosphanium
SMILESO=C(NC(CCO[P+](=O)O)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C17H18NO5P/c19-17(22-13-14-7-3-1-4-8-14)18-16(11-12-23-24(20)21)15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H-,18,19,20,21)/p+1
InChIKeyYOJRKKSNYLHPMC-UHFFFAOYSA-O
XLogP3.71
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

benzyl N-(1-phenylbutyl)carbamate
CID 101400436
benzyl N-[(1R)-2-amino-1-phenylethyl]carbamate
CID 11011061
benzyl N-[(1S)-2-amino-1-phenylethyl]carbamate
CID 44607655
benzyl N-[(1S)-4-chlorosulfonyl-1-phenylbutyl]carbamate
CID 11689462
methyl (3R)-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate
CID 11833969
[(2R)-2-phenyl-2-(phenylmethoxycarbonylamino)ethyl] methanesulfonate
CID 142462159
benzyl N-(4-chloro-3-oxo-1-phenylbutyl)carbamate;1,3-dichloropropan-2-one
CID 157156097
(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetic acid
CID 819214
benzyl N-[1-(3-fluorophenyl)-3-hydroxypropyl]carbamate
CID 20758955
benzyl N-[(1S)-1-(3-fluorophenyl)-3-hydroxypropyl]carbamate
CID 59985516
(2S)-2-iodo-2-(phenylmethoxycarbonylamino)acetic acid
CID 126547050
benzyl N-[(1S,2S)-2-amino-1,2-diphenylethyl]carbamate
CID 139989757

Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-[3-phenyl-3-(phenylmethoxycarbonylamino)propoxy]phosphanium?
The IUPAC name of hydroxy-oxo-[3-phenyl-3-(phenylmethoxycarbonylamino)propoxy]phosphanium (CID 172826308) is hydroxy-oxo-[3-phenyl-3-(phenylmethoxycarbonylamino)propoxy]phosphanium.
What is the SMILES notation for hydroxy-oxo-[3-phenyl-3-(phenylmethoxycarbonylamino)propoxy]phosphanium?
The canonical SMILES for hydroxy-oxo-[3-phenyl-3-(phenylmethoxycarbonylamino)propoxy]phosphanium is O=C(NC(CCO[P+](=O)O)c1ccccc1)OCc1ccccc1.
What is the InChIKey of hydroxy-oxo-[3-phenyl-3-(phenylmethoxycarbonylamino)propoxy]phosphanium?
The InChIKey is YOJRKKSNYLHPMC-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H18NO5P/c19-17(22-13-14-7-3-1-4-8-14)18-16(11-12-23-24(20)21)15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H-,18,19,20,21)/p+1.
What are the key properties of hydroxy-oxo-[3-phenyl-3-(phenylmethoxycarbonylamino)propoxy]phosphanium?
hydroxy-oxo-[3-phenyl-3-(phenylmethoxycarbonylamino)propoxy]phosphanium has a molecular weight of 348.32 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-[3-phenyl-3-(phenylmethoxycarbonylamino)propoxy]phosphanium is sourced from PubChem (CID 172826308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).