propan-2-yl 2-[(4-methoxyphenyl)methylideneamino]acetate

C13H17NO3 — CID 14076273

IUPACpropan-2-yl 2-[(4-methoxyphenyl)methylideneamino]acetate
SMILESCOc1ccc(/C=N/CC(=O)OC(C)C)cc1
InChIInChI=1S/C13H17NO3/c1-10(2)17-13(15)9-14-8-11-4-6-12(16-3)7-5-11/h4-8,10H,9H2,1-3H3/b14-8+
InChIKeyZYJUQVDJGIMSNO-RIYZIHGNSA-N
MW235.28 g/mol
LogP2.07
Rot. Bonds5

About propan-2-yl 2-[(4-methoxyphenyl)methylideneamino]acetate

propan-2-yl 2-[(4-methoxyphenyl)methylideneamino]acetate (PubChem CID 14076273) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is propan-2-yl 2-[(4-methoxyphenyl)methylideneamino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[(4-methoxyphenyl)methylideneamino]acetate
PubChem CID14076273
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namepropan-2-yl 2-[(4-methoxyphenyl)methylideneamino]acetate
SMILESCOc1ccc(/C=N/CC(=O)OC(C)C)cc1
InChIInChI=1S/C13H17NO3/c1-10(2)17-13(15)9-14-8-11-4-6-12(16-3)7-5-11/h4-8,10H,9H2,1-3H3/b14-8+
InChIKeyZYJUQVDJGIMSNO-RIYZIHGNSA-N
XLogP2.07
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(4-methoxyphenyl)methylideneamino]propanoate
CID 13240768
2-[(4-methoxyphenyl)methylideneamino]-N-phenylacetamide
CID 70606724
N-ethyl-1-(4-methoxyphenyl)methanimine
CID 12927006
propan-2-yl 3-(4-methoxyphenoxy)butanoate
CID 146594244
methyl 2-(benzylideneamino)acetate
CID 132550307
propan-2-yl 2-(4-methoxyphenyl)sulfanylacetate
CID 60704324
1-(4-methoxyphenyl)-N-prop-2-enylmethanimine
CID 11052170
(2R,3R,4R,5S)-6-[(4-methoxyphenyl)methylideneamino]hexane-1,2,3,4,5-pentol
CID 24774769
2-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-2-(2-methylpropyl)pentanamide
CID 6885906
N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide
CID 44726282
methyl (2S)-2-[(4-methoxyphenyl)methylideneamino]-3-methylbutanoate
CID 10377371
N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215527

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[(4-methoxyphenyl)methylideneamino]acetate?
The IUPAC name of propan-2-yl 2-[(4-methoxyphenyl)methylideneamino]acetate (CID 14076273) is propan-2-yl 2-[(4-methoxyphenyl)methylideneamino]acetate.
What is the SMILES notation for propan-2-yl 2-[(4-methoxyphenyl)methylideneamino]acetate?
The canonical SMILES for propan-2-yl 2-[(4-methoxyphenyl)methylideneamino]acetate is COc1ccc(/C=N/CC(=O)OC(C)C)cc1.
What is the InChIKey of propan-2-yl 2-[(4-methoxyphenyl)methylideneamino]acetate?
The InChIKey is ZYJUQVDJGIMSNO-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H17NO3/c1-10(2)17-13(15)9-14-8-11-4-6-12(16-3)7-5-11/h4-8,10H,9H2,1-3H3/b14-8+.
What are the key properties of propan-2-yl 2-[(4-methoxyphenyl)methylideneamino]acetate?
propan-2-yl 2-[(4-methoxyphenyl)methylideneamino]acetate has a molecular weight of 235.28 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[(4-methoxyphenyl)methylideneamino]acetate is sourced from PubChem (CID 14076273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).