tert-butyl 2-[(2-propan-2-ylphenyl)methylideneamino]acetate

C16H23NO2 — CID 140857551

IUPACtert-butyl 2-[(2-propan-2-ylphenyl)methylideneamino]acetate
SMILESCC(C)c1ccccc1/C=N/CC(=O)OC(C)(C)C
InChIInChI=1S/C16H23NO2/c1-12(2)14-9-7-6-8-13(14)10-17-11-15(18)19-16(3,4)5/h6-10,12H,11H2,1-5H3/b17-10+
InChIKeyANNVXBDZKKATJA-LICLKQGHSA-N
MW261.37 g/mol
LogP3.57
Rot. Bonds4

About tert-butyl 2-[(2-propan-2-ylphenyl)methylideneamino]acetate

tert-butyl 2-[(2-propan-2-ylphenyl)methylideneamino]acetate (PubChem CID 140857551) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is tert-butyl 2-[(2-propan-2-ylphenyl)methylideneamino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(2-propan-2-ylphenyl)methylideneamino]acetate
PubChem CID140857551
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Nametert-butyl 2-[(2-propan-2-ylphenyl)methylideneamino]acetate
SMILESCC(C)c1ccccc1/C=N/CC(=O)OC(C)(C)C
InChIInChI=1S/C16H23NO2/c1-12(2)14-9-7-6-8-13(14)10-17-11-15(18)19-16(3,4)5/h6-10,12H,11H2,1-5H3/b17-10+
InChIKeyANNVXBDZKKATJA-LICLKQGHSA-N
XLogP3.57
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-[(1-methyl-2-oxo-3-pyridinyl)methylideneamino]acetate
CID 140858821
tert-butyl (E)-3-[2-propan-2-yl-4-[(E)-3-(2-propan-2-ylphenyl)prop-2-enoyl]oxyphenyl]prop-2-enoate
CID 138478047
methyl 2-[(2-methoxyphenyl)methylideneamino]acetate
CID 4863442
ethyl 2-[(2-methylphenyl)methylideneamino]acetate
CID 15468535
2-tert-butylperoxy-2-methylpropane;1,2-di(propan-2-yl)benzene;hydrogen peroxide
CID 172680598
tert-butyl 2-[(4-amino-2-chloro-3-pyridinyl)methylideneamino]acetate
CID 171497583
tert-butyl 2-[1-(2-methylphenyl)ethylamino]acetate
CID 60679878
tert-butyl 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetate
CID 81378736
tert-butyl (E)-3-[2-(formylcarbamoylamino)-3-propan-2-ylphenyl]prop-2-enoate
CID 155448440
tert-butyl (E)-3-(2-propan-2-yloxyphenyl)prop-2-enoate
CID 130331865
tert-butyl (3S)-3-amino-3-(2-bromophenyl)propanoate
CID 11130344
tert-butyl 2-[4-formyl-2,6-di(propan-2-yl)phenyl]acetate
CID 137443337

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2-propan-2-ylphenyl)methylideneamino]acetate?
The IUPAC name of tert-butyl 2-[(2-propan-2-ylphenyl)methylideneamino]acetate (CID 140857551) is tert-butyl 2-[(2-propan-2-ylphenyl)methylideneamino]acetate.
What is the SMILES notation for tert-butyl 2-[(2-propan-2-ylphenyl)methylideneamino]acetate?
The canonical SMILES for tert-butyl 2-[(2-propan-2-ylphenyl)methylideneamino]acetate is CC(C)c1ccccc1/C=N/CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[(2-propan-2-ylphenyl)methylideneamino]acetate?
The InChIKey is ANNVXBDZKKATJA-LICLKQGHSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12(2)14-9-7-6-8-13(14)10-17-11-15(18)19-16(3,4)5/h6-10,12H,11H2,1-5H3/b17-10+.
What are the key properties of tert-butyl 2-[(2-propan-2-ylphenyl)methylideneamino]acetate?
tert-butyl 2-[(2-propan-2-ylphenyl)methylideneamino]acetate has a molecular weight of 261.37 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2-propan-2-ylphenyl)methylideneamino]acetate is sourced from PubChem (CID 140857551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).