tert-butyl (NE)-N-[1-(methoxymethyl)-2-oxoindol-3-ylidene]carbamate

C15H18N2O4 — CID 164672933

IUPACtert-butyl (NE)-N-[1-(methoxymethyl)-2-oxoindol-3-ylidene]carbamate
SMILESCOCN1C(=O)/C(=N/C(=O)OC(C)(C)C)c2ccccc21
InChIInChI=1S/C15H18N2O4/c1-15(2,3)21-14(19)16-12-10-7-5-6-8-11(10)17(9-20-4)13(12)18/h5-8H,9H2,1-4H3/b16-12+
InChIKeyAPBAFCLRHWKEPA-FOWTUZBSSA-N
MW290.32 g/mol
LogP2.36
Rot. Bonds2

About tert-butyl (NE)-N-[1-(methoxymethyl)-2-oxoindol-3-ylidene]carbamate

tert-butyl (NE)-N-[1-(methoxymethyl)-2-oxoindol-3-ylidene]carbamate (PubChem CID 164672933) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is tert-butyl (NE)-N-[1-(methoxymethyl)-2-oxoindol-3-ylidene]carbamate.

Molecular Properties

Compound Nametert-butyl (NE)-N-[1-(methoxymethyl)-2-oxoindol-3-ylidene]carbamate
PubChem CID164672933
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Nametert-butyl (NE)-N-[1-(methoxymethyl)-2-oxoindol-3-ylidene]carbamate
SMILESCOCN1C(=O)/C(=N/C(=O)OC(C)(C)C)c2ccccc21
InChIInChI=1S/C15H18N2O4/c1-15(2,3)21-14(19)16-12-10-7-5-6-8-11(10)17(9-20-4)13(12)18/h5-8H,9H2,1-4H3/b16-12+
InChIKeyAPBAFCLRHWKEPA-FOWTUZBSSA-N
XLogP2.36
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl (NE)-N-[1-(methoxymethyl)-2-oxoindol-3-ylidene]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (NE)-N-[1-(methoxymethyl)-2-oxoindol-3-ylidene]carbamate?
The IUPAC name of tert-butyl (NE)-N-[1-(methoxymethyl)-2-oxoindol-3-ylidene]carbamate (CID 164672933) is tert-butyl (NE)-N-[1-(methoxymethyl)-2-oxoindol-3-ylidene]carbamate.
What is the SMILES notation for tert-butyl (NE)-N-[1-(methoxymethyl)-2-oxoindol-3-ylidene]carbamate?
The canonical SMILES for tert-butyl (NE)-N-[1-(methoxymethyl)-2-oxoindol-3-ylidene]carbamate is COCN1C(=O)/C(=N/C(=O)OC(C)(C)C)c2ccccc21.
What is the InChIKey of tert-butyl (NE)-N-[1-(methoxymethyl)-2-oxoindol-3-ylidene]carbamate?
The InChIKey is APBAFCLRHWKEPA-FOWTUZBSSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-15(2,3)21-14(19)16-12-10-7-5-6-8-11(10)17(9-20-4)13(12)18/h5-8H,9H2,1-4H3/b16-12+.
What are the key properties of tert-butyl (NE)-N-[1-(methoxymethyl)-2-oxoindol-3-ylidene]carbamate?
tert-butyl (NE)-N-[1-(methoxymethyl)-2-oxoindol-3-ylidene]carbamate has a molecular weight of 290.32 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (NE)-N-[1-(methoxymethyl)-2-oxoindol-3-ylidene]carbamate is sourced from PubChem (CID 164672933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).