methyl (Z)-3-(dimethylamino)-2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]prop-2-enoate

C16H20N2O4 — CID 10685920

IUPACmethyl (Z)-3-(dimethylamino)-2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]prop-2-enoate
SMILESCOC(=O)/C(=C/N(C)C)NC(=O)/C=C/c1ccccc1OC
InChIInChI=1S/C16H20N2O4/c1-18(2)11-13(16(20)22-4)17-15(19)10-9-12-7-5-6-8-14(12)21-3/h5-11H,1-4H3,(H,17,19)/b10-9+,13-11-
InChIKeyCRPZEQFJGCGFSD-LTCRFSFDSA-N
MW304.35 g/mol
LogP1.40
Rot. Bonds6

About methyl (Z)-3-(dimethylamino)-2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]prop-2-enoate

methyl (Z)-3-(dimethylamino)-2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]prop-2-enoate (PubChem CID 10685920) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is methyl (Z)-3-(dimethylamino)-2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-(dimethylamino)-2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]prop-2-enoate
PubChem CID10685920
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Namemethyl (Z)-3-(dimethylamino)-2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]prop-2-enoate
SMILESCOC(=O)/C(=C/N(C)C)NC(=O)/C=C/c1ccccc1OC
InChIInChI=1S/C16H20N2O4/c1-18(2)11-13(16(20)22-4)17-15(19)10-9-12-7-5-6-8-14(12)21-3/h5-11H,1-4H3,(H,17,19)/b10-9+,13-11-
InChIKeyCRPZEQFJGCGFSD-LTCRFSFDSA-N
XLogP1.40
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-3-(2-methoxyphenyl)prop-2-enamide
CID 123173944
(E)-3-(2-methoxyphenyl)-N-[methyl(phenylsulfanyl)carbamoyl]prop-2-enamide
CID 22306522
N-[(2,5-dimethoxyphenyl)carbamothioyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 3457464
2-[3-(2-methoxyphenyl)prop-2-enoylamino]acetyl chloride
CID 57046657
N-benzyl-3-(2-methoxyphenyl)prop-2-enamide
CID 2927846
(2R)-2-[3-(2-methoxyphenyl)prop-2-enoylamino]-3-methylbutanoic acid
CID 79011008
(E)-3-(2-methoxyphenyl)-N-(prop-2-enylcarbamothioyl)prop-2-enamide
CID 6233109
(E)-N-(5-acetamido-2-methoxyphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 26243278
(E)-N-(3,5-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 9096903
(E)-3-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 26618934
(E)-3-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 26618935
(E)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 110001866

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-(dimethylamino)-2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]prop-2-enoate?
The IUPAC name of methyl (Z)-3-(dimethylamino)-2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]prop-2-enoate (CID 10685920) is methyl (Z)-3-(dimethylamino)-2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]prop-2-enoate.
What is the SMILES notation for methyl (Z)-3-(dimethylamino)-2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]prop-2-enoate?
The canonical SMILES for methyl (Z)-3-(dimethylamino)-2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]prop-2-enoate is COC(=O)/C(=C/N(C)C)NC(=O)/C=C/c1ccccc1OC.
What is the InChIKey of methyl (Z)-3-(dimethylamino)-2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]prop-2-enoate?
The InChIKey is CRPZEQFJGCGFSD-LTCRFSFDSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-18(2)11-13(16(20)22-4)17-15(19)10-9-12-7-5-6-8-14(12)21-3/h5-11H,1-4H3,(H,17,19)/b10-9+,13-11-.
What are the key properties of methyl (Z)-3-(dimethylamino)-2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]prop-2-enoate?
methyl (Z)-3-(dimethylamino)-2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]prop-2-enoate has a molecular weight of 304.35 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-(dimethylamino)-2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]prop-2-enoate is sourced from PubChem (CID 10685920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).