tert-butyl N-[(1S)-1-diethoxyphosphoryl-2-phenylethyl]carbamate

C17H28NO5P — CID 10570312

IUPACtert-butyl N-[(1S)-1-diethoxyphosphoryl-2-phenylethyl]carbamate
SMILESCCOP(=O)(OCC)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H28NO5P/c1-6-21-24(20,22-7-2)15(13-14-11-9-8-10-12-14)18-16(19)23-17(3,4)5/h8-12,15H,6-7,13H2,1-5H3,(H,18,19)/t15-/m0/s1
InChIKeyGUQJSVWFFYJZAZ-HNNXBMFYSA-N
MW357.39 g/mol
LogP4.35
Rot. Bonds8

About tert-butyl N-[(1S)-1-diethoxyphosphoryl-2-phenylethyl]carbamate

tert-butyl N-[(1S)-1-diethoxyphosphoryl-2-phenylethyl]carbamate (PubChem CID 10570312) has the molecular formula C17H28NO5P and a molecular weight of 357.39 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-diethoxyphosphoryl-2-phenylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-diethoxyphosphoryl-2-phenylethyl]carbamate
PubChem CID10570312
Molecular FormulaC17H28NO5P
Molecular Weight357.39 g/mol
Exact Mass357.17
IUPAC Nametert-butyl N-[(1S)-1-diethoxyphosphoryl-2-phenylethyl]carbamate
SMILESCCOP(=O)(OCC)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H28NO5P/c1-6-21-24(20,22-7-2)15(13-14-11-9-8-10-12-14)18-16(19)23-17(3,4)5/h8-12,15H,6-7,13H2,1-5H3,(H,18,19)/t15-/m0/s1
InChIKeyGUQJSVWFFYJZAZ-HNNXBMFYSA-N
XLogP4.35
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(1S)-1-diethoxyphosphoryl-2-phenylethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[1-[ethoxy-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phosphoryl]-2-phenylethyl]carbamate
CID 11004728
tert-butyl N-(1-diethoxyphosphoryl-2-phenylethyl)-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate
CID 15655170
tert-butyl (2S)-2-benzyl-3-[ethoxy-[(1R)-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]propanoate
CID 101443831
benzyl N-[(1S,2R)-1-diethoxyphosphoryl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl]carbamate
CID 102295084
tert-butyl N-[(Z)-4-cyano-4-diethoxyphosphoryl-3-hydroxy-1-phenylbut-3-en-2-yl]carbamate
CID 10410087
tert-butyl N-[4-[2-diphenoxyphosphoryl-2-(methoxycarbonylamino)ethyl]phenyl]carbamate
CID 24748793
tert-butyl N-[(2R)-1-methoxy-3-phenylpropan-2-yl]carbamate
CID 162715602
tert-butyl N-(3-oxo-1-phenylpentan-2-yl)carbamate
CID 20726658
tert-butyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate
CID 58912430
tert-butyl N-[(2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]selanyl-3-phenylpropan-2-yl]carbamate
CID 102155876
tert-butyl N-(3-methyl-1-phenylbutan-2-yl)carbamate
CID 10491812
bromomethylbenzene;tert-butyl 2-diethoxyphosphoryl-3-phenylpropanoate
CID 157202616

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-diethoxyphosphoryl-2-phenylethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-diethoxyphosphoryl-2-phenylethyl]carbamate (CID 10570312) is tert-butyl N-[(1S)-1-diethoxyphosphoryl-2-phenylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-diethoxyphosphoryl-2-phenylethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-diethoxyphosphoryl-2-phenylethyl]carbamate is CCOP(=O)(OCC)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(1S)-1-diethoxyphosphoryl-2-phenylethyl]carbamate?
The InChIKey is GUQJSVWFFYJZAZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H28NO5P/c1-6-21-24(20,22-7-2)15(13-14-11-9-8-10-12-14)18-16(19)23-17(3,4)5/h8-12,15H,6-7,13H2,1-5H3,(H,18,19)/t15-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-diethoxyphosphoryl-2-phenylethyl]carbamate?
tert-butyl N-[(1S)-1-diethoxyphosphoryl-2-phenylethyl]carbamate has a molecular weight of 357.39 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-diethoxyphosphoryl-2-phenylethyl]carbamate is sourced from PubChem (CID 10570312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).