tert-butyl N-[(Z)-1,1-bis(1-methylindol-3-yl)propan-2-ylideneamino]carbamate

C26H30N4O2 — CID 134130176

IUPACtert-butyl N-[(Z)-1,1-bis(1-methylindol-3-yl)propan-2-ylideneamino]carbamate
SMILESC/C(=N/NC(=O)OC(C)(C)C)C(c1cn(C)c2ccccc12)c1cn(C)c2ccccc12
InChIInChI=1S/C26H30N4O2/c1-17(27-28-25(31)32-26(2,3)4)24(20-15-29(5)22-13-9-7-11-18(20)22)21-16-30(6)23-14-10-8-12-19(21)23/h7-16,24H,1-6H3,(H,28,31)/b27-17-
InChIKeyCISOEGONJCBOJW-PKAZHMFMSA-N
MW430.55 g/mol
LogP5.70
Rot. Bonds4

About tert-butyl N-[(Z)-1,1-bis(1-methylindol-3-yl)propan-2-ylideneamino]carbamate

tert-butyl N-[(Z)-1,1-bis(1-methylindol-3-yl)propan-2-ylideneamino]carbamate (PubChem CID 134130176) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is tert-butyl N-[(Z)-1,1-bis(1-methylindol-3-yl)propan-2-ylideneamino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-1,1-bis(1-methylindol-3-yl)propan-2-ylideneamino]carbamate
PubChem CID134130176
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Nametert-butyl N-[(Z)-1,1-bis(1-methylindol-3-yl)propan-2-ylideneamino]carbamate
SMILESC/C(=N/NC(=O)OC(C)(C)C)C(c1cn(C)c2ccccc12)c1cn(C)c2ccccc12
InChIInChI=1S/C26H30N4O2/c1-17(27-28-25(31)32-26(2,3)4)24(20-15-29(5)22-13-9-7-11-18(20)22)21-16-30(6)23-14-10-8-12-19(21)23/h7-16,24H,1-6H3,(H,28,31)/b27-17-
InChIKeyCISOEGONJCBOJW-PKAZHMFMSA-N
XLogP5.70
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-1,1-bis(1-methylindol-3-yl)propan-2-ylideneamino]carbamate?
The IUPAC name of tert-butyl N-[(Z)-1,1-bis(1-methylindol-3-yl)propan-2-ylideneamino]carbamate (CID 134130176) is tert-butyl N-[(Z)-1,1-bis(1-methylindol-3-yl)propan-2-ylideneamino]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-1,1-bis(1-methylindol-3-yl)propan-2-ylideneamino]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-1,1-bis(1-methylindol-3-yl)propan-2-ylideneamino]carbamate is C/C(=N/NC(=O)OC(C)(C)C)C(c1cn(C)c2ccccc12)c1cn(C)c2ccccc12.
What is the InChIKey of tert-butyl N-[(Z)-1,1-bis(1-methylindol-3-yl)propan-2-ylideneamino]carbamate?
The InChIKey is CISOEGONJCBOJW-PKAZHMFMSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-17(27-28-25(31)32-26(2,3)4)24(20-15-29(5)22-13-9-7-11-18(20)22)21-16-30(6)23-14-10-8-12-19(21)23/h7-16,24H,1-6H3,(H,28,31)/b27-17-.
What are the key properties of tert-butyl N-[(Z)-1,1-bis(1-methylindol-3-yl)propan-2-ylideneamino]carbamate?
tert-butyl N-[(Z)-1,1-bis(1-methylindol-3-yl)propan-2-ylideneamino]carbamate has a molecular weight of 430.55 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-1,1-bis(1-methylindol-3-yl)propan-2-ylideneamino]carbamate is sourced from PubChem (CID 134130176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).