tert-butyl N-[(2S)-1-diphenylphosphanyl-3,3-dimethylbutan-2-yl]carbamate

C23H32NO2P — CID 10738865

IUPACtert-butyl N-[(2S)-1-diphenylphosphanyl-3,3-dimethylbutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CP(c1ccccc1)c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H32NO2P/c1-22(2,3)20(24-21(25)26-23(4,5)6)17-27(18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-16,20H,17H2,1-6H3,(H,24,25)/t20-/m1/s1
InChIKeyNLISMEREMPKZDN-HXUWFJFHSA-N
MW385.49 g/mol
LogP5.06
Rot. Bonds5

About tert-butyl N-[(2S)-1-diphenylphosphanyl-3,3-dimethylbutan-2-yl]carbamate

tert-butyl N-[(2S)-1-diphenylphosphanyl-3,3-dimethylbutan-2-yl]carbamate (PubChem CID 10738865) has the molecular formula C23H32NO2P and a molecular weight of 385.49 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-diphenylphosphanyl-3,3-dimethylbutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-diphenylphosphanyl-3,3-dimethylbutan-2-yl]carbamate
PubChem CID10738865
Molecular FormulaC23H32NO2P
Molecular Weight385.49 g/mol
Exact Mass385.22
IUPAC Nametert-butyl N-[(2S)-1-diphenylphosphanyl-3,3-dimethylbutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CP(c1ccccc1)c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H32NO2P/c1-22(2,3)20(24-21(25)26-23(4,5)6)17-27(18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-16,20H,17H2,1-6H3,(H,24,25)/t20-/m1/s1
InChIKeyNLISMEREMPKZDN-HXUWFJFHSA-N
XLogP5.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.49
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]carbamate
CID 15145877
tert-butyl N-[(2S)-1-diphenylphosphanyl-3-phenylpropan-2-yl]carbamate
CID 15145878
methyl (2R)-3-diphenylphosphanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 23630943
tert-butyl N-[(2S)-3-methyl-1-phenylselanylbutan-2-yl]carbamate
CID 24874554
Methyl 3-diphenylphosphanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 74072994
4-t-Boc-amino-1,7-diphenyl-1,6-heptadiene
CID 101166481
tert-butyl N-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-diphenylphosphanylbutan-2-yl]carbamate
CID 101777677
tert-butyl N-[(E,3R)-2,2-dimethyl-6-phenylhex-5-en-3-yl]carbamate
CID 134956819
(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,1-diphenyl-3,4-dihydro-2H-phosphinin-1-ium-5-olate
CID 139092992
tert-butyl N-[(2R)-1-[[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 146168799
tert-butyl N-[(2S)-1-[[(2S)-1-diphenylphosphanylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 155930992
tert-butyl N-[(2S,3S)-1-diphenylphosphanyl-3-methylpentan-2-yl]carbamate
CID 155936049

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-diphenylphosphanyl-3,3-dimethylbutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-diphenylphosphanyl-3,3-dimethylbutan-2-yl]carbamate (CID 10738865) is tert-butyl N-[(2S)-1-diphenylphosphanyl-3,3-dimethylbutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-diphenylphosphanyl-3,3-dimethylbutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-diphenylphosphanyl-3,3-dimethylbutan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@H](CP(c1ccccc1)c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-1-diphenylphosphanyl-3,3-dimethylbutan-2-yl]carbamate?
The InChIKey is NLISMEREMPKZDN-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H32NO2P/c1-22(2,3)20(24-21(25)26-23(4,5)6)17-27(18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-16,20H,17H2,1-6H3,(H,24,25)/t20-/m1/s1.
What are the key properties of tert-butyl N-[(2S)-1-diphenylphosphanyl-3,3-dimethylbutan-2-yl]carbamate?
tert-butyl N-[(2S)-1-diphenylphosphanyl-3,3-dimethylbutan-2-yl]carbamate has a molecular weight of 385.49 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-diphenylphosphanyl-3,3-dimethylbutan-2-yl]carbamate is sourced from PubChem (CID 10738865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).