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

C24H26N4O2 — CID 134130549

IUPACtert-butyl N-[(Z)-1,1-bis(1H-indol-3-yl)propan-2-ylideneamino]carbamate
SMILESC/C(=N/NC(=O)OC(C)(C)C)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C24H26N4O2/c1-15(27-28-23(29)30-24(2,3)4)22(18-13-25-20-11-7-5-9-16(18)20)19-14-26-21-12-8-6-10-17(19)21/h5-14,22,25-26H,1-4H3,(H,28,29)/b27-15-
InChIKeyBTNYMFJBTJSBIH-DICXZTSXSA-N
MW402.50 g/mol
LogP5.68
Rot. Bonds4

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

tert-butyl N-[(Z)-1,1-bis(1H-indol-3-yl)propan-2-ylideneamino]carbamate (PubChem CID 134130549) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is tert-butyl N-[(Z)-1,1-bis(1H-indol-3-yl)propan-2-ylideneamino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-1,1-bis(1H-indol-3-yl)propan-2-ylideneamino]carbamate
PubChem CID134130549
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Nametert-butyl N-[(Z)-1,1-bis(1H-indol-3-yl)propan-2-ylideneamino]carbamate
SMILESC/C(=N/NC(=O)OC(C)(C)C)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C24H26N4O2/c1-15(27-28-23(29)30-24(2,3)4)22(18-13-25-20-11-7-5-9-16(18)20)19-14-26-21-12-8-6-10-17(19)21/h5-14,22,25-26H,1-4H3,(H,28,29)/b27-15-
InChIKeyBTNYMFJBTJSBIH-DICXZTSXSA-N
XLogP5.68
TPSA82.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.50
LogP ≤ 55.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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(1H-indol-3-yl)propan-2-ylideneamino]carbamate?
The IUPAC name of tert-butyl N-[(Z)-1,1-bis(1H-indol-3-yl)propan-2-ylideneamino]carbamate (CID 134130549) is tert-butyl N-[(Z)-1,1-bis(1H-indol-3-yl)propan-2-ylideneamino]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-1,1-bis(1H-indol-3-yl)propan-2-ylideneamino]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-1,1-bis(1H-indol-3-yl)propan-2-ylideneamino]carbamate is C/C(=N/NC(=O)OC(C)(C)C)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12.
What is the InChIKey of tert-butyl N-[(Z)-1,1-bis(1H-indol-3-yl)propan-2-ylideneamino]carbamate?
The InChIKey is BTNYMFJBTJSBIH-DICXZTSXSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-15(27-28-23(29)30-24(2,3)4)22(18-13-25-20-11-7-5-9-16(18)20)19-14-26-21-12-8-6-10-17(19)21/h5-14,22,25-26H,1-4H3,(H,28,29)/b27-15-.
What are the key properties of tert-butyl N-[(Z)-1,1-bis(1H-indol-3-yl)propan-2-ylideneamino]carbamate?
tert-butyl N-[(Z)-1,1-bis(1H-indol-3-yl)propan-2-ylideneamino]carbamate has a molecular weight of 402.50 g/mol, XLogP of 5.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-1,1-bis(1H-indol-3-yl)propan-2-ylideneamino]carbamate is sourced from PubChem (CID 134130549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).