tert-butyl [3,3-diphenylprop-2-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] carbonate

C25H31NO5 — CID 10741053

IUPACtert-butyl [3,3-diphenylprop-2-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] carbonate
SMILESCC(C)(C)OC(=O)ON(CC=C(c1ccccc1)c1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C25H31NO5/c1-24(2,3)29-22(27)26(31-23(28)30-25(4,5)6)18-17-21(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-17H,18H2,1-6H3
InChIKeyDRUPNAYNQYLEOT-UHFFFAOYSA-N
MW425.53 g/mol
LogP6.22
Rot. Bonds4

About tert-butyl [3,3-diphenylprop-2-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] carbonate

tert-butyl [3,3-diphenylprop-2-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] carbonate (PubChem CID 10741053) has the molecular formula C25H31NO5 and a molecular weight of 425.53 g/mol. Its IUPAC name is tert-butyl [3,3-diphenylprop-2-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] carbonate.

Molecular Properties

Compound Nametert-butyl [3,3-diphenylprop-2-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] carbonate
PubChem CID10741053
Molecular FormulaC25H31NO5
Molecular Weight425.53 g/mol
Exact Mass425.22
IUPAC Nametert-butyl [3,3-diphenylprop-2-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] carbonate
SMILESCC(C)(C)OC(=O)ON(CC=C(c1ccccc1)c1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C25H31NO5/c1-24(2,3)29-22(27)26(31-23(28)30-25(4,5)6)18-17-21(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-17H,18H2,1-6H3
InChIKeyDRUPNAYNQYLEOT-UHFFFAOYSA-N
XLogP6.22
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl [[(E)-3-(4-methoxyphenyl)but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino] carbonate
CID 10834407
tert-butyl [(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino] carbonate
CID 11380287
tert-butyl [[(E)-3-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino] carbonate
CID 10530692
tert-butyl [[(E)-3-[3-(4-methoxyphenoxy)phenyl]hept-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino] carbonate
CID 10697459
tert-butyl [[(Z)-3-[3-[(3,5-dichlorophenyl)methoxy]phenyl]hept-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino] carbonate
CID 10603321
S-[(Z)-3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]prop-1-enyl] benzenecarbothioate
CID 139701970
tert-butyl N-benzyl-N-formylcarbamate
CID 53419906
tert-butyl N-benzoyl-N-propan-2-ylcarbamate
CID 122205870
tert-butyl [(2-methylpropan-2-yl)oxycarbonyl-[(E)-3-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]undec-2-enyl]amino] carbonate
CID 10771121
CID 162139404
CID 162139404
tert-butyl N-[(E,1R)-1,4-diphenylpent-3-enyl]-N-methylcarbamate
CID 144980444
tert-butyl N-benzyl-N-(1-phenylethenyl)carbamate
CID 15514558

Frequently Asked Questions

What is the IUPAC name of tert-butyl [3,3-diphenylprop-2-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] carbonate?
The IUPAC name of tert-butyl [3,3-diphenylprop-2-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] carbonate (CID 10741053) is tert-butyl [3,3-diphenylprop-2-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] carbonate.
What is the SMILES notation for tert-butyl [3,3-diphenylprop-2-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] carbonate?
The canonical SMILES for tert-butyl [3,3-diphenylprop-2-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] carbonate is CC(C)(C)OC(=O)ON(CC=C(c1ccccc1)c1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl [3,3-diphenylprop-2-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] carbonate?
The InChIKey is DRUPNAYNQYLEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31NO5/c1-24(2,3)29-22(27)26(31-23(28)30-25(4,5)6)18-17-21(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-17H,18H2,1-6H3.
What are the key properties of tert-butyl [3,3-diphenylprop-2-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] carbonate?
tert-butyl [3,3-diphenylprop-2-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] carbonate has a molecular weight of 425.53 g/mol, XLogP of 6.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [3,3-diphenylprop-2-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] carbonate is sourced from PubChem (CID 10741053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).