methyl (Z)-2-[benzoyl(2-methylprop-2-enyl)amino]-3-(dimethylamino)prop-2-enoate

C17H22N2O3 — CID 25212588

IUPACmethyl (Z)-2-[benzoyl(2-methylprop-2-enyl)amino]-3-(dimethylamino)prop-2-enoate
SMILESC=C(C)CN(C(=O)c1ccccc1)/C(=C\N(C)C)C(=O)OC
InChIInChI=1S/C17H22N2O3/c1-13(2)11-19(15(12-18(3)4)17(21)22-5)16(20)14-9-7-6-8-10-14/h6-10,12H,1,11H2,2-5H3/b15-12-
InChIKeyVWPYPMHHCMXVLD-QINSGFPZSA-N
MW302.37 g/mol
LogP2.28
Rot. Bonds6

About methyl (Z)-2-[benzoyl(2-methylprop-2-enyl)amino]-3-(dimethylamino)prop-2-enoate

methyl (Z)-2-[benzoyl(2-methylprop-2-enyl)amino]-3-(dimethylamino)prop-2-enoate (PubChem CID 25212588) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is methyl (Z)-2-[benzoyl(2-methylprop-2-enyl)amino]-3-(dimethylamino)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-[benzoyl(2-methylprop-2-enyl)amino]-3-(dimethylamino)prop-2-enoate
PubChem CID25212588
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Namemethyl (Z)-2-[benzoyl(2-methylprop-2-enyl)amino]-3-(dimethylamino)prop-2-enoate
SMILESC=C(C)CN(C(=O)c1ccccc1)/C(=C\N(C)C)C(=O)OC
InChIInChI=1S/C17H22N2O3/c1-13(2)11-19(15(12-18(3)4)17(21)22-5)16(20)14-9-7-6-8-10-14/h6-10,12H,1,11H2,2-5H3/b15-12-
InChIKeyVWPYPMHHCMXVLD-QINSGFPZSA-N
XLogP2.28
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methyl hippurate
CID 14566
N-benzoyl-N-methylglycine
CID 75728
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CID 5369686
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CID 5719594
Ethyl 3-methyl-2-(phenylformamido)but-2-enoate
CID 9550229
Ethyl 2-(benzoylamino)-5-phenyl-2,4-pentadienoate
CID 5338179
2-benzyl-1-oxo-4-phenyl-1,2-dihydroisoquinoline-3-carboxylic Acid Methyl Ester
CID 44451905
2-Butenoic acid, 2-(benzoylamino)-3-methyl-, methyl ester
CID 657545
Methyl (benzoylamino)(cyclohexylidene)acetate
CID 739172
2-Benzoylamino-5-phenyl-penta-2,4-dienoic acid butyl ester
CID 1722392
Butyl 2-(benzoylamino)-3-methyl-2-butenoate
CID 2282450
methyl 2-[(1-benzoyl-5-methyl-2H-pyrrole-5-carbonyl)amino]acetate
CID 5459692

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-[benzoyl(2-methylprop-2-enyl)amino]-3-(dimethylamino)prop-2-enoate?
The IUPAC name of methyl (Z)-2-[benzoyl(2-methylprop-2-enyl)amino]-3-(dimethylamino)prop-2-enoate (CID 25212588) is methyl (Z)-2-[benzoyl(2-methylprop-2-enyl)amino]-3-(dimethylamino)prop-2-enoate.
What is the SMILES notation for methyl (Z)-2-[benzoyl(2-methylprop-2-enyl)amino]-3-(dimethylamino)prop-2-enoate?
The canonical SMILES for methyl (Z)-2-[benzoyl(2-methylprop-2-enyl)amino]-3-(dimethylamino)prop-2-enoate is C=C(C)CN(C(=O)c1ccccc1)/C(=C\N(C)C)C(=O)OC.
What is the InChIKey of methyl (Z)-2-[benzoyl(2-methylprop-2-enyl)amino]-3-(dimethylamino)prop-2-enoate?
The InChIKey is VWPYPMHHCMXVLD-QINSGFPZSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-13(2)11-19(15(12-18(3)4)17(21)22-5)16(20)14-9-7-6-8-10-14/h6-10,12H,1,11H2,2-5H3/b15-12-.
What are the key properties of methyl (Z)-2-[benzoyl(2-methylprop-2-enyl)amino]-3-(dimethylamino)prop-2-enoate?
methyl (Z)-2-[benzoyl(2-methylprop-2-enyl)amino]-3-(dimethylamino)prop-2-enoate has a molecular weight of 302.37 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-[benzoyl(2-methylprop-2-enyl)amino]-3-(dimethylamino)prop-2-enoate is sourced from PubChem (CID 25212588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).