tert-butyl N-(2-hydroxy-3-phenylpropyl)-N-propylcarbamate;ethane;phenylphosphane

C25H40NO3P — CID 142297237

IUPACtert-butyl N-(2-hydroxy-3-phenylpropyl)-N-propylcarbamate;ethane;phenylphosphane
SMILESCC.CCCN(CC(O)Cc1ccccc1)C(=O)OC(C)(C)C.Pc1ccccc1
InChIInChI=1S/C17H27NO3.C6H7P.C2H6/c1-5-11-18(16(20)21-17(2,3)4)13-15(19)12-14-9-7-6-8-10-14;7-6-4-2-1-3-5-6;1-2/h6-10,15,19H,5,11-13H2,1-4H3;1-5H,7H2;1-2H3
InChIKeyYXVHPPLDDMDCCU-UHFFFAOYSA-N
MW433.57 g/mol
LogP5.45
Rot. Bonds6

About tert-butyl N-(2-hydroxy-3-phenylpropyl)-N-propylcarbamate;ethane;phenylphosphane

tert-butyl N-(2-hydroxy-3-phenylpropyl)-N-propylcarbamate;ethane;phenylphosphane (PubChem CID 142297237) has the molecular formula C25H40NO3P and a molecular weight of 433.57 g/mol. Its IUPAC name is tert-butyl N-(2-hydroxy-3-phenylpropyl)-N-propylcarbamate;ethane;phenylphosphane.

Molecular Properties

Compound Nametert-butyl N-(2-hydroxy-3-phenylpropyl)-N-propylcarbamate;ethane;phenylphosphane
PubChem CID142297237
Molecular FormulaC25H40NO3P
Molecular Weight433.57 g/mol
Exact Mass433.27
IUPAC Nametert-butyl N-(2-hydroxy-3-phenylpropyl)-N-propylcarbamate;ethane;phenylphosphane
SMILESCC.CCCN(CC(O)Cc1ccccc1)C(=O)OC(C)(C)C.Pc1ccccc1
InChIInChI=1S/C17H27NO3.C6H7P.C2H6/c1-5-11-18(16(20)21-17(2,3)4)13-15(19)12-14-9-7-6-8-10-14;7-6-4-2-1-3-5-6;1-2/h6-10,15,19H,5,11-13H2,1-4H3;1-5H,7H2;1-2H3
InChIKeyYXVHPPLDDMDCCU-UHFFFAOYSA-N
XLogP5.45
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.57
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(2-hydroxy-3-phenylpropyl)-N-propylcarbamate
CID 142297238
tert-butyl N-[2-hydroxy-3-(1-oxo-1,3-diphenylpropan-2-yl)oxypropyl]-N-propylcarbamate
CID 86748044
tert-butyl N-(2-chloroethyl)-N-[(2R)-2-hydroxy-3-phenylmethoxypropyl]carbamate
CID 171477754
tert-butyl N-[2-amino-3-(phenylmethoxycarbonylamino)propyl]-N-propylcarbamate
CID 118230319
tert-butyl N-oxido-N-(1-phenylpropan-2-yl)carbamate
CID 87963994
(2S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]propanoic acid
CID 170277244
tert-butyl N-[(2R)-3-amino-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)carbamate
CID 59890919
tert-butyl N-[2-(4-aminophenyl)ethyl]-N-[(2S)-2-hydroxy-3-phenoxypropyl]carbamate
CID 54547220
tert-butyl N-benzyl-N-[(2S)-2-hydroxy-2-phenylethyl]carbamate
CID 102250627
tert-butyl N,N-bis(2-hydroxypentyl)carbamate
CID 165352440
tert-butyl N-ethyl-N-[2-(1-phenylbutan-2-ylamino)ethyl]carbamate
CID 107245260
tert-butyl N-benzyl-N-(bromomethyl)carbamate
CID 175490279

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-hydroxy-3-phenylpropyl)-N-propylcarbamate;ethane;phenylphosphane?
The IUPAC name of tert-butyl N-(2-hydroxy-3-phenylpropyl)-N-propylcarbamate;ethane;phenylphosphane (CID 142297237) is tert-butyl N-(2-hydroxy-3-phenylpropyl)-N-propylcarbamate;ethane;phenylphosphane.
What is the SMILES notation for tert-butyl N-(2-hydroxy-3-phenylpropyl)-N-propylcarbamate;ethane;phenylphosphane?
The canonical SMILES for tert-butyl N-(2-hydroxy-3-phenylpropyl)-N-propylcarbamate;ethane;phenylphosphane is CC.CCCN(CC(O)Cc1ccccc1)C(=O)OC(C)(C)C.Pc1ccccc1.
What is the InChIKey of tert-butyl N-(2-hydroxy-3-phenylpropyl)-N-propylcarbamate;ethane;phenylphosphane?
The InChIKey is YXVHPPLDDMDCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3.C6H7P.C2H6/c1-5-11-18(16(20)21-17(2,3)4)13-15(19)12-14-9-7-6-8-10-14;7-6-4-2-1-3-5-6;1-2/h6-10,15,19H,5,11-13H2,1-4H3;1-5H,7H2;1-2H3.
What are the key properties of tert-butyl N-(2-hydroxy-3-phenylpropyl)-N-propylcarbamate;ethane;phenylphosphane?
tert-butyl N-(2-hydroxy-3-phenylpropyl)-N-propylcarbamate;ethane;phenylphosphane has a molecular weight of 433.57 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-hydroxy-3-phenylpropyl)-N-propylcarbamate;ethane;phenylphosphane is sourced from PubChem (CID 142297237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).