tert-butyl N-methyl-N-[2-[methyl-[2-[methyl(2-phosphanylethyl)amino]ethyl]amino]-2-oxoethyl]carbamate

C14H30N3O3P — CID 90445571

IUPACtert-butyl N-methyl-N-[2-[methyl-[2-[methyl(2-phosphanylethyl)amino]ethyl]amino]-2-oxoethyl]carbamate
SMILESCN(CCP)CCN(C)C(=O)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H30N3O3P/c1-14(2,3)20-13(19)17(6)11-12(18)16(5)8-7-15(4)9-10-21/h7-11,21H2,1-6H3
InChIKeyXJMSRWXKBKJSFX-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.12
Rot. Bonds7

About tert-butyl N-methyl-N-[2-[methyl-[2-[methyl(2-phosphanylethyl)amino]ethyl]amino]-2-oxoethyl]carbamate

tert-butyl N-methyl-N-[2-[methyl-[2-[methyl(2-phosphanylethyl)amino]ethyl]amino]-2-oxoethyl]carbamate (PubChem CID 90445571) has the molecular formula C14H30N3O3P and a molecular weight of 319.39 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-[methyl-[2-[methyl(2-phosphanylethyl)amino]ethyl]amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-[methyl-[2-[methyl(2-phosphanylethyl)amino]ethyl]amino]-2-oxoethyl]carbamate
PubChem CID90445571
Molecular FormulaC14H30N3O3P
Molecular Weight319.39 g/mol
Exact Mass319.20
IUPAC Nametert-butyl N-methyl-N-[2-[methyl-[2-[methyl(2-phosphanylethyl)amino]ethyl]amino]-2-oxoethyl]carbamate
SMILESCN(CCP)CCN(C)C(=O)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H30N3O3P/c1-14(2,3)20-13(19)17(6)11-12(18)16(5)8-7-15(4)9-10-21/h7-11,21H2,1-6H3
InChIKeyXJMSRWXKBKJSFX-UHFFFAOYSA-N
XLogP1.12
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(2-hydrazinyl-2-oxoethyl)-N-methylcarbamate
CID 56698929
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tert-butyl N-(2-hydroxy-3-methylbut-2-enyl)-N-methylcarbamate
CID 91462214
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylazanium
CID 7006641
tert-butyl N-(2-phosphanylethyl)-N-propylcarbamate
CID 145297430
methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;propane
CID 142813889
tert-butyl N-methyl-N-[2-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]amino]ethyl]carbamate
CID 118190372
1-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]amino]ethyl acetate
CID 174761094
tert-butyl N-methyl-N-[2-[methyl-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]amino]ethyl]carbamate
CID 118190458
tert-butyl N-methyl-N-[2-[methyl-[[(2R)-oxiran-2-yl]methyl]amino]ethyl]carbamate
CID 118190485
tert-butyl N-methyl-N-[2-[methyl-[(2-methyloxiran-2-yl)methyl]amino]ethyl]carbamate
CID 87851835
tert-butyl N-(2-aminooxyethyl)-N-methylcarbamate
CID 23398498

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-[methyl-[2-[methyl(2-phosphanylethyl)amino]ethyl]amino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-[methyl-[2-[methyl(2-phosphanylethyl)amino]ethyl]amino]-2-oxoethyl]carbamate (CID 90445571) is tert-butyl N-methyl-N-[2-[methyl-[2-[methyl(2-phosphanylethyl)amino]ethyl]amino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-[methyl-[2-[methyl(2-phosphanylethyl)amino]ethyl]amino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-[methyl-[2-[methyl(2-phosphanylethyl)amino]ethyl]amino]-2-oxoethyl]carbamate is CN(CCP)CCN(C)C(=O)CN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[2-[methyl-[2-[methyl(2-phosphanylethyl)amino]ethyl]amino]-2-oxoethyl]carbamate?
The InChIKey is XJMSRWXKBKJSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N3O3P/c1-14(2,3)20-13(19)17(6)11-12(18)16(5)8-7-15(4)9-10-21/h7-11,21H2,1-6H3.
What are the key properties of tert-butyl N-methyl-N-[2-[methyl-[2-[methyl(2-phosphanylethyl)amino]ethyl]amino]-2-oxoethyl]carbamate?
tert-butyl N-methyl-N-[2-[methyl-[2-[methyl(2-phosphanylethyl)amino]ethyl]amino]-2-oxoethyl]carbamate has a molecular weight of 319.39 g/mol, XLogP of 1.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[2-[methyl-[2-[methyl(2-phosphanylethyl)amino]ethyl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 90445571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).