methyl (Z)-3-(4-methoxy-N-methylanilino)-2-(4-methoxyphenyl)prop-2-enoate

C19H21NO4 — CID 166437517

IUPACmethyl (Z)-3-(4-methoxy-N-methylanilino)-2-(4-methoxyphenyl)prop-2-enoate
SMILESCOC(=O)/C(=C\N(C)c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C19H21NO4/c1-20(15-7-11-17(23-3)12-8-15)13-18(19(21)24-4)14-5-9-16(22-2)10-6-14/h5-13H,1-4H3/b18-13-
InChIKeyFLAUCOSDYOFJNR-AQTBWJFISA-N
MW327.38 g/mol
LogP3.35
Rot. Bonds6

About methyl (Z)-3-(4-methoxy-N-methylanilino)-2-(4-methoxyphenyl)prop-2-enoate

methyl (Z)-3-(4-methoxy-N-methylanilino)-2-(4-methoxyphenyl)prop-2-enoate (PubChem CID 166437517) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is methyl (Z)-3-(4-methoxy-N-methylanilino)-2-(4-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-(4-methoxy-N-methylanilino)-2-(4-methoxyphenyl)prop-2-enoate
PubChem CID166437517
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Namemethyl (Z)-3-(4-methoxy-N-methylanilino)-2-(4-methoxyphenyl)prop-2-enoate
SMILESCOC(=O)/C(=C\N(C)c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C19H21NO4/c1-20(15-7-11-17(23-3)12-8-15)13-18(19(21)24-4)14-5-9-16(22-2)10-6-14/h5-13H,1-4H3/b18-13-
InChIKeyFLAUCOSDYOFJNR-AQTBWJFISA-N
XLogP3.35
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-(dimethylamino)-3-(4-methoxyphenyl)but-3-en-2-one
CID 13091149
(E)-3-(dimethylamino)-2-(4-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 15729872
methyl 3-(dimethylamino)-2-(4-nitrophenyl)prop-2-enoate
CID 68807753
N-ethenyl-4-methoxy-N-methylaniline
CID 142070059
4-methoxy-N'-(4-methoxybenzoyl)-N,N'-dimethylbenzohydrazide
CID 14949074
methyl 2-[4-(4-methoxyphenyl)phenyl]-2-oxoacetate
CID 125477773
4-(dimethylamino)-N-(4-methoxyphenyl)benzamide
CID 867710
(4-methoxybenzoyl)-λ2-stannane
CID 174742034
(4-methoxyphenyl)-methylcarbamic acid
CID 22047987
methyl 2-ethyl-4-(4-methoxy-N-methylanilino)but-2-enoate
CID 77100890
1-(4-methoxyphenyl)-1,3-dimethylurea
CID 116655338
methyl (E)-3-methoxy-2-(4-methylphenyl)prop-2-enoate
CID 11074540

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-(4-methoxy-N-methylanilino)-2-(4-methoxyphenyl)prop-2-enoate?
The IUPAC name of methyl (Z)-3-(4-methoxy-N-methylanilino)-2-(4-methoxyphenyl)prop-2-enoate (CID 166437517) is methyl (Z)-3-(4-methoxy-N-methylanilino)-2-(4-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for methyl (Z)-3-(4-methoxy-N-methylanilino)-2-(4-methoxyphenyl)prop-2-enoate?
The canonical SMILES for methyl (Z)-3-(4-methoxy-N-methylanilino)-2-(4-methoxyphenyl)prop-2-enoate is COC(=O)/C(=C\N(C)c1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of methyl (Z)-3-(4-methoxy-N-methylanilino)-2-(4-methoxyphenyl)prop-2-enoate?
The InChIKey is FLAUCOSDYOFJNR-AQTBWJFISA-N. The full InChI is InChI=1S/C19H21NO4/c1-20(15-7-11-17(23-3)12-8-15)13-18(19(21)24-4)14-5-9-16(22-2)10-6-14/h5-13H,1-4H3/b18-13-.
What are the key properties of methyl (Z)-3-(4-methoxy-N-methylanilino)-2-(4-methoxyphenyl)prop-2-enoate?
methyl (Z)-3-(4-methoxy-N-methylanilino)-2-(4-methoxyphenyl)prop-2-enoate has a molecular weight of 327.38 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-(4-methoxy-N-methylanilino)-2-(4-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 166437517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).