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

C28H41N2O3P — CID 164673101

IUPACtert-butyl N-[1-[[(2S)-1-diphenylphosphanyl-3,3-dimethylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCC(C)C(NC(=O)OC(C)(C)C)C(=O)N[C@H](CP(c1ccccc1)c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H41N2O3P/c1-20(2)24(30-26(32)33-28(6,7)8)25(31)29-23(27(3,4)5)19-34(21-15-11-9-12-16-21)22-17-13-10-14-18-22/h9-18,20,23-24H,19H2,1-8H3,(H,29,31)(H,30,32)/t23-,24?/m1/s1
InChIKeyOCIHOSQPUIBIRI-MIHMCVIASA-N
MW484.62 g/mol
LogP5.20
Rot. Bonds8

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

tert-butyl N-[1-[[(2S)-1-diphenylphosphanyl-3,3-dimethylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate (PubChem CID 164673101) has the molecular formula C28H41N2O3P and a molecular weight of 484.62 g/mol. Its IUPAC name is tert-butyl N-[1-[[(2S)-1-diphenylphosphanyl-3,3-dimethylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[[(2S)-1-diphenylphosphanyl-3,3-dimethylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
PubChem CID164673101
Molecular FormulaC28H41N2O3P
Molecular Weight484.62 g/mol
Exact Mass484.29
IUPAC Nametert-butyl N-[1-[[(2S)-1-diphenylphosphanyl-3,3-dimethylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCC(C)C(NC(=O)OC(C)(C)C)C(=O)N[C@H](CP(c1ccccc1)c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H41N2O3P/c1-20(2)24(30-26(32)33-28(6,7)8)25(31)29-23(27(3,4)5)19-34(21-15-11-9-12-16-21)22-17-13-10-14-18-22/h9-18,20,23-24H,19H2,1-8H3,(H,29,31)(H,30,32)/t23-,24?/m1/s1
InChIKeyOCIHOSQPUIBIRI-MIHMCVIASA-N
XLogP5.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.62
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[1-[[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 164672848
tert-butyl N-[(2S)-1-anilino-3-methyl-1-oxobutan-2-yl]carbamate
CID 14440793
tert-butyl N-[(2S)-1-[[(1S)-2-hydroxy-1-phenylethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 101201490
tert-butyl N-[(2R)-3-methyl-1-[[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]carbamate
CID 10937708
benzyl (2S)-2-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoyl]amino]propanoate
CID 46210859
tert-butyl N-(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamate
CID 15743702
tert-butyl N-[(2S)-1-[[(1S,2S)-2-amino-1,2-diphenylethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 56601828
tert-butyl N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxo-1-(2-phenylhydrazinyl)propan-2-yl]amino]butan-2-yl]carbamate
CID 11047099
tert-butyl N-[(2S)-1-[1-(benzenesulfonyl)propylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 101387955
(2S)-2-[[(2S)-4-methyl-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]pentanoyl]amino]-3-phenylpropanoic acid
CID 22860942
benzyl 4-methyl-2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]pentanoate
CID 21327044
tert-butyl N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-phenyl-3-phenylsulfanylpropan-2-yl]amino]butan-2-yl]carbamate
CID 11575853

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[(2S)-1-diphenylphosphanyl-3,3-dimethylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[[(2S)-1-diphenylphosphanyl-3,3-dimethylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate (CID 164673101) is tert-butyl N-[1-[[(2S)-1-diphenylphosphanyl-3,3-dimethylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[[(2S)-1-diphenylphosphanyl-3,3-dimethylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[[(2S)-1-diphenylphosphanyl-3,3-dimethylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate is CC(C)C(NC(=O)OC(C)(C)C)C(=O)N[C@H](CP(c1ccccc1)c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[[(2S)-1-diphenylphosphanyl-3,3-dimethylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate?
The InChIKey is OCIHOSQPUIBIRI-MIHMCVIASA-N. The full InChI is InChI=1S/C28H41N2O3P/c1-20(2)24(30-26(32)33-28(6,7)8)25(31)29-23(27(3,4)5)19-34(21-15-11-9-12-16-21)22-17-13-10-14-18-22/h9-18,20,23-24H,19H2,1-8H3,(H,29,31)(H,30,32)/t23-,24?/m1/s1.
What are the key properties of tert-butyl N-[1-[[(2S)-1-diphenylphosphanyl-3,3-dimethylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate?
tert-butyl N-[1-[[(2S)-1-diphenylphosphanyl-3,3-dimethylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate has a molecular weight of 484.62 g/mol, XLogP of 5.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[[(2S)-1-diphenylphosphanyl-3,3-dimethylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 164673101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).