tert-butyl N-[2-(diphenylphosphorylamino)ethyl]carbamate

C19H25N2O3P — CID 98469800

IUPACtert-butyl N-[2-(diphenylphosphorylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H25N2O3P/c1-19(2,3)24-18(22)20-14-15-21-25(23,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyBRVAAKUBSNUWOB-UHFFFAOYSA-N
MW360.39 g/mol
LogP3.03
Rot. Bonds6

About tert-butyl N-[2-(diphenylphosphorylamino)ethyl]carbamate

tert-butyl N-[2-(diphenylphosphorylamino)ethyl]carbamate (PubChem CID 98469800) has the molecular formula C19H25N2O3P and a molecular weight of 360.39 g/mol. Its IUPAC name is tert-butyl N-[2-(diphenylphosphorylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(diphenylphosphorylamino)ethyl]carbamate
PubChem CID98469800
Molecular FormulaC19H25N2O3P
Molecular Weight360.39 g/mol
Exact Mass360.16
IUPAC Nametert-butyl N-[2-(diphenylphosphorylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H25N2O3P/c1-19(2,3)24-18(22)20-14-15-21-25(23,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyBRVAAKUBSNUWOB-UHFFFAOYSA-N
XLogP3.03
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(2-phenylpropan-2-ylamino)ethyl]carbamate
CID 10891197
tert-butyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate
CID 47456092
tert-butyl N-(2-phenylethyl)carbamate;ethane
CID 177159157
tert-butyl N-[2-(benzylamino)ethyl]carbamate;hydrochloride
CID 14418525
tert-butyl N-[2-[[2-(2-hydroxyphenyl)acetyl]amino]ethyl]carbamate
CID 52859596
tert-butyl N-[2-[(4-phenoxybenzoyl)amino]ethyl]carbamate
CID 16735191
tert-butyl N-[2-[[benzyl(methyl)carbamoyl]amino]ethyl]carbamate
CID 60613829
tert-butyl N-diphenylphosphoryloxycarbamate
CID 139070667
tert-butyl N-(anilinomethyl)carbamate
CID 87555144
tert-butyl N-[2-(pyridine-2-carbonylamino)ethyl]carbamate
CID 47453309
tert-butyl N-[2-[[benzyl(propan-2-yl)carbamoyl]amino]ethyl]carbamate
CID 108864351
2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl benzoate
CID 67590944

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(diphenylphosphorylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(diphenylphosphorylamino)ethyl]carbamate (CID 98469800) is tert-butyl N-[2-(diphenylphosphorylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(diphenylphosphorylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(diphenylphosphorylamino)ethyl]carbamate is CC(C)(C)OC(=O)NCCNP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl N-[2-(diphenylphosphorylamino)ethyl]carbamate?
The InChIKey is BRVAAKUBSNUWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N2O3P/c1-19(2,3)24-18(22)20-14-15-21-25(23,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of tert-butyl N-[2-(diphenylphosphorylamino)ethyl]carbamate?
tert-butyl N-[2-(diphenylphosphorylamino)ethyl]carbamate has a molecular weight of 360.39 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(diphenylphosphorylamino)ethyl]carbamate is sourced from PubChem (CID 98469800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).