tert-butyl N-[2-[bis(2-diphenylphosphanylethyl)amino]-2-oxoethyl]carbamate

C35H40N2O3P2 — CID 148691344

IUPACtert-butyl N-[2-[bis(2-diphenylphosphanylethyl)amino]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)N(CCP(c1ccccc1)c1ccccc1)CCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H40N2O3P2/c1-35(2,3)40-34(39)36-28-33(38)37(24-26-41(29-16-8-4-9-17-29)30-18-10-5-11-19-30)25-27-42(31-20-12-6-13-21-31)32-22-14-7-15-23-32/h4-23H,24-28H2,1-3H3,(H,36,39)
InChIKeyNTNOPTWAZFLHGE-UHFFFAOYSA-N
MW598.66 g/mol
LogP5.61
Rot. Bonds12

About tert-butyl N-[2-[bis(2-diphenylphosphanylethyl)amino]-2-oxoethyl]carbamate

tert-butyl N-[2-[bis(2-diphenylphosphanylethyl)amino]-2-oxoethyl]carbamate (PubChem CID 148691344) has the molecular formula C35H40N2O3P2 and a molecular weight of 598.66 g/mol. Its IUPAC name is tert-butyl N-[2-[bis(2-diphenylphosphanylethyl)amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[bis(2-diphenylphosphanylethyl)amino]-2-oxoethyl]carbamate
PubChem CID148691344
Molecular FormulaC35H40N2O3P2
Molecular Weight598.66 g/mol
Exact Mass598.25
IUPAC Nametert-butyl N-[2-[bis(2-diphenylphosphanylethyl)amino]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)N(CCP(c1ccccc1)c1ccccc1)CCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H40N2O3P2/c1-35(2,3)40-34(39)36-28-33(38)37(24-26-41(29-16-8-4-9-17-29)30-18-10-5-11-19-30)25-27-42(31-20-12-6-13-21-31)32-22-14-7-15-23-32/h4-23H,24-28H2,1-3H3,(H,36,39)
InChIKeyNTNOPTWAZFLHGE-UHFFFAOYSA-N
XLogP5.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.66
LogP ≤ 55.61
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-[bis(2-hydroxyethyl)amino]-2-oxoethyl]carbamate
CID 127108190
tert-butyl N-[2-[N-(dimethylcarbamoyl)anilino]-2-oxoethyl]carbamate
CID 69441199
methyl 2-[[2-[benzyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]acetate
CID 102368678
tert-butyl N-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl]carbamate
CID 67704750
tert-butyl N-[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]carbamate
CID 141407749
tert-butyl N-[2-[(2-hydroxy-1,2-diphenylethyl)-methylamino]-2-oxoethyl]carbamate
CID 123313324
tert-butyl N-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]carbamate
CID 86653692
benzyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamic acid
CID 143832483
methyl (2S)-2-amino-2-[benzyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate
CID 132581423
tert-butyl N-[2-[[2-(butylamino)-2-oxo-1-phenylethyl]-methylamino]-2-oxoethyl]carbamate
CID 18015085
tert-butyl N-[2-[benzoyl(methyl)amino]ethyl]carbamate
CID 167260960
tert-butyl N-[4-[2,2-diphenylethyl-[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]-2-oxobutyl]carbamate
CID 70970158

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[bis(2-diphenylphosphanylethyl)amino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[bis(2-diphenylphosphanylethyl)amino]-2-oxoethyl]carbamate (CID 148691344) is tert-butyl N-[2-[bis(2-diphenylphosphanylethyl)amino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[bis(2-diphenylphosphanylethyl)amino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[bis(2-diphenylphosphanylethyl)amino]-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)N(CCP(c1ccccc1)c1ccccc1)CCP(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl N-[2-[bis(2-diphenylphosphanylethyl)amino]-2-oxoethyl]carbamate?
The InChIKey is NTNOPTWAZFLHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40N2O3P2/c1-35(2,3)40-34(39)36-28-33(38)37(24-26-41(29-16-8-4-9-17-29)30-18-10-5-11-19-30)25-27-42(31-20-12-6-13-21-31)32-22-14-7-15-23-32/h4-23H,24-28H2,1-3H3,(H,36,39).
What are the key properties of tert-butyl N-[2-[bis(2-diphenylphosphanylethyl)amino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[bis(2-diphenylphosphanylethyl)amino]-2-oxoethyl]carbamate has a molecular weight of 598.66 g/mol, XLogP of 5.61, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[bis(2-diphenylphosphanylethyl)amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 148691344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).