methyl 2-[(4-methoxyphenyl)methylideneamino]propanoate

C12H15NO3 — CID 13240768

IUPACmethyl 2-[(4-methoxyphenyl)methylideneamino]propanoate
SMILESCOC(=O)C(C)/N=C/c1ccc(OC)cc1
InChIInChI=1S/C12H15NO3/c1-9(12(14)16-3)13-8-10-4-6-11(15-2)7-5-10/h4-9H,1-3H3/b13-8+
InChIKeyXZTCKUOLKOIXCM-MDWZMJQESA-N
MW221.26 g/mol
LogP1.68
Rot. Bonds4

About methyl 2-[(4-methoxyphenyl)methylideneamino]propanoate

methyl 2-[(4-methoxyphenyl)methylideneamino]propanoate (PubChem CID 13240768) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is methyl 2-[(4-methoxyphenyl)methylideneamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(4-methoxyphenyl)methylideneamino]propanoate
PubChem CID13240768
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Namemethyl 2-[(4-methoxyphenyl)methylideneamino]propanoate
SMILESCOC(=O)C(C)/N=C/c1ccc(OC)cc1
InChIInChI=1S/C12H15NO3/c1-9(12(14)16-3)13-8-10-4-6-11(15-2)7-5-10/h4-9H,1-3H3/b13-8+
InChIKeyXZTCKUOLKOIXCM-MDWZMJQESA-N
XLogP1.68
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.68
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 (2S)-2-[(4-methoxyphenyl)methylideneamino]-3-methylbutanoate
CID 10377371
(E)-N-(1-methoxyethyl)-1-(4-methoxyphenyl)methanimine
CID 10465201
methyl (E)-4-(4-methoxyphenyl)-2-methylbut-3-enoate
CID 139242095
ethyl 2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylideneamino]acetate
CID 101131689
3-hydroxy-2-[(4-methoxyphenyl)methylideneamino]-N-methylpropanamide
CID 76686566
methyl 2-[(2-hydroxyphenyl)methylideneamino]propanoate
CID 135433741
propan-2-yl 2-[(4-methoxyphenyl)methylideneamino]acetate
CID 14076273
N'-[(4-methoxyphenyl)methylideneamino]oxamide
CID 2590460
methyl 3-methyl-2-[(4-methylphenyl)methylideneamino]butanoate
CID 72956571
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
1-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine
CID 778491

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methoxyphenyl)methylideneamino]propanoate?
The IUPAC name of methyl 2-[(4-methoxyphenyl)methylideneamino]propanoate (CID 13240768) is methyl 2-[(4-methoxyphenyl)methylideneamino]propanoate.
What is the SMILES notation for methyl 2-[(4-methoxyphenyl)methylideneamino]propanoate?
The canonical SMILES for methyl 2-[(4-methoxyphenyl)methylideneamino]propanoate is COC(=O)C(C)/N=C/c1ccc(OC)cc1.
What is the InChIKey of methyl 2-[(4-methoxyphenyl)methylideneamino]propanoate?
The InChIKey is XZTCKUOLKOIXCM-MDWZMJQESA-N. The full InChI is InChI=1S/C12H15NO3/c1-9(12(14)16-3)13-8-10-4-6-11(15-2)7-5-10/h4-9H,1-3H3/b13-8+.
What are the key properties of methyl 2-[(4-methoxyphenyl)methylideneamino]propanoate?
methyl 2-[(4-methoxyphenyl)methylideneamino]propanoate has a molecular weight of 221.26 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methoxyphenyl)methylideneamino]propanoate is sourced from PubChem (CID 13240768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).