methyl 2-[2-[4-methoxy-2-(methylideneamino)phenyl]prop-2-enylamino]-2-methylpropanoate

C16H22N2O3 — CID 142929100

IUPACmethyl 2-[2-[4-methoxy-2-(methylideneamino)phenyl]prop-2-enylamino]-2-methylpropanoate
SMILESC=Nc1cc(OC)ccc1C(=C)CNC(C)(C)C(=O)OC
InChIInChI=1S/C16H22N2O3/c1-11(10-18-16(2,3)15(19)21-6)13-8-7-12(20-5)9-14(13)17-4/h7-9,18H,1,4,10H2,2-3,5-6H3
InChIKeyDAIGNUIEVPDDNE-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.58
Rot. Bonds7

About methyl 2-[2-[4-methoxy-2-(methylideneamino)phenyl]prop-2-enylamino]-2-methylpropanoate

methyl 2-[2-[4-methoxy-2-(methylideneamino)phenyl]prop-2-enylamino]-2-methylpropanoate (PubChem CID 142929100) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is methyl 2-[2-[4-methoxy-2-(methylideneamino)phenyl]prop-2-enylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[2-[4-methoxy-2-(methylideneamino)phenyl]prop-2-enylamino]-2-methylpropanoate
PubChem CID142929100
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Namemethyl 2-[2-[4-methoxy-2-(methylideneamino)phenyl]prop-2-enylamino]-2-methylpropanoate
SMILESC=Nc1cc(OC)ccc1C(=C)CNC(C)(C)C(=O)OC
InChIInChI=1S/C16H22N2O3/c1-11(10-18-16(2,3)15(19)21-6)13-8-7-12(20-5)9-14(13)17-4/h7-9,18H,1,4,10H2,2-3,5-6H3
InChIKeyDAIGNUIEVPDDNE-UHFFFAOYSA-N
XLogP2.58
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[1-[4-methoxy-2-(methylideneamino)phenyl]ethenoxy]benzenethiol
CID 168886662
N-(4-methoxy-2-prop-1-en-2-ylphenyl)methanimine
CID 145260845
methyl 2-[(7-methoxyquinolin-4-yl)methylamino]-2-methylpropanoate
CID 59694298
methyl 2-methyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate
CID 43725845
methyl 2-[[2-(4-methoxy-2-methylphenyl)acetyl]amino]-2-methylpropanoate
CID 70239669
4-methoxy-2-(methylideneamino)aniline
CID 163228388
2-ethyl-4-methoxy-1-prop-1-en-2-ylbenzene
CID 70232732
2-hydroxy-4-methoxy-N-(2-methylprop-2-enyl)benzamide
CID 114617408
5-methoxy-2-(3-methoxy-2,2-dimethyl-3-oxopropoxy)benzoic acid
CID 79624210
methyl 2-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropanoate
CID 43726039
5-methoxy-N-methyl-2-(methylideneamino)aniline
CID 143659024
1-(2-chloro-4-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one
CID 116918735

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[4-methoxy-2-(methylideneamino)phenyl]prop-2-enylamino]-2-methylpropanoate?
The IUPAC name of methyl 2-[2-[4-methoxy-2-(methylideneamino)phenyl]prop-2-enylamino]-2-methylpropanoate (CID 142929100) is methyl 2-[2-[4-methoxy-2-(methylideneamino)phenyl]prop-2-enylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[2-[4-methoxy-2-(methylideneamino)phenyl]prop-2-enylamino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[2-[4-methoxy-2-(methylideneamino)phenyl]prop-2-enylamino]-2-methylpropanoate is C=Nc1cc(OC)ccc1C(=C)CNC(C)(C)C(=O)OC.
What is the InChIKey of methyl 2-[2-[4-methoxy-2-(methylideneamino)phenyl]prop-2-enylamino]-2-methylpropanoate?
The InChIKey is DAIGNUIEVPDDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11(10-18-16(2,3)15(19)21-6)13-8-7-12(20-5)9-14(13)17-4/h7-9,18H,1,4,10H2,2-3,5-6H3.
What are the key properties of methyl 2-[2-[4-methoxy-2-(methylideneamino)phenyl]prop-2-enylamino]-2-methylpropanoate?
methyl 2-[2-[4-methoxy-2-(methylideneamino)phenyl]prop-2-enylamino]-2-methylpropanoate has a molecular weight of 290.36 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[4-methoxy-2-(methylideneamino)phenyl]prop-2-enylamino]-2-methylpropanoate is sourced from PubChem (CID 142929100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).