methyl 3-(dimethylamino)-2-[(4-methoxyphenyl)methylideneamino]prop-2-enoate

C14H18N2O3 — CID 4271609

IUPACmethyl 3-(dimethylamino)-2-[(4-methoxyphenyl)methylideneamino]prop-2-enoate
SMILESCOC(=O)C(=CN(C)C)/N=C/c1ccc(OC)cc1
InChIInChI=1S/C14H18N2O3/c1-16(2)10-13(14(17)19-4)15-9-11-5-7-12(18-3)8-6-11/h5-10H,1-4H3/b13-10?,15-9+
InChIKeyIBGQDEGOGKCBIG-MSWWUYRUSA-N
MW262.31 g/mol
LogP1.69
Rot. Bonds5

About methyl 3-(dimethylamino)-2-[(4-methoxyphenyl)methylideneamino]prop-2-enoate

methyl 3-(dimethylamino)-2-[(4-methoxyphenyl)methylideneamino]prop-2-enoate (PubChem CID 4271609) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is methyl 3-(dimethylamino)-2-[(4-methoxyphenyl)methylideneamino]prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-(dimethylamino)-2-[(4-methoxyphenyl)methylideneamino]prop-2-enoate
PubChem CID4271609
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Namemethyl 3-(dimethylamino)-2-[(4-methoxyphenyl)methylideneamino]prop-2-enoate
SMILESCOC(=O)C(=CN(C)C)/N=C/c1ccc(OC)cc1
InChIInChI=1S/C14H18N2O3/c1-16(2)10-13(14(17)19-4)15-9-11-5-7-12(18-3)8-6-11/h5-10H,1-4H3/b13-10?,15-9+
InChIKeyIBGQDEGOGKCBIG-MSWWUYRUSA-N
XLogP1.69
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (Z)-2-(benzylideneamino)-3-(dimethylamino)prop-2-enoate
CID 12681085
methyl 3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enoate
CID 86674845
(Z)-4-(dimethylamino)-3-(4-methoxyphenyl)but-3-en-2-one
CID 13091149
N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide
CID 44726282
[4-[(E)-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]methyl]phenyl] 2-methylprop-2-enoate;2-methylprop-2-enal
CID 142394247
2-[(Z)-(4-methoxyphenyl)methylideneamino]oxy-N',N'-dimethylacetohydrazide
CID 9163888
N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]butanediamide
CID 6869271
methyl 2-[(4-methoxyphenyl)methylideneamino]propanoate
CID 13240768
2-methoxycarbonyl-3-(4-methoxyphenyl)prop-2-enoic acid
CID 3653010
N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]pentanediamide
CID 6861549
N'-[(4-methoxyphenyl)methylideneamino]oxamide
CID 2590460
1-carbamothioyl-3-[(4-methoxyphenyl)methylidene]thiourea
CID 3769571

Frequently Asked Questions

What is the IUPAC name of methyl 3-(dimethylamino)-2-[(4-methoxyphenyl)methylideneamino]prop-2-enoate?
The IUPAC name of methyl 3-(dimethylamino)-2-[(4-methoxyphenyl)methylideneamino]prop-2-enoate (CID 4271609) is methyl 3-(dimethylamino)-2-[(4-methoxyphenyl)methylideneamino]prop-2-enoate.
What is the SMILES notation for methyl 3-(dimethylamino)-2-[(4-methoxyphenyl)methylideneamino]prop-2-enoate?
The canonical SMILES for methyl 3-(dimethylamino)-2-[(4-methoxyphenyl)methylideneamino]prop-2-enoate is COC(=O)C(=CN(C)C)/N=C/c1ccc(OC)cc1.
What is the InChIKey of methyl 3-(dimethylamino)-2-[(4-methoxyphenyl)methylideneamino]prop-2-enoate?
The InChIKey is IBGQDEGOGKCBIG-MSWWUYRUSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-16(2)10-13(14(17)19-4)15-9-11-5-7-12(18-3)8-6-11/h5-10H,1-4H3/b13-10?,15-9+.
What are the key properties of methyl 3-(dimethylamino)-2-[(4-methoxyphenyl)methylideneamino]prop-2-enoate?
methyl 3-(dimethylamino)-2-[(4-methoxyphenyl)methylideneamino]prop-2-enoate has a molecular weight of 262.31 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(dimethylamino)-2-[(4-methoxyphenyl)methylideneamino]prop-2-enoate is sourced from PubChem (CID 4271609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).