methyl (E)-3-[4-(2-methylprop-2-enoylamino)phenyl]prop-2-enoate

C14H15NO3 — CID 18329218

IUPACmethyl (E)-3-[4-(2-methylprop-2-enoylamino)phenyl]prop-2-enoate
SMILESC=C(C)C(=O)Nc1ccc(/C=C/C(=O)OC)cc1
InChIInChI=1S/C14H15NO3/c1-10(2)14(17)15-12-7-4-11(5-8-12)6-9-13(16)18-3/h4-9H,1H2,2-3H3,(H,15,17)/b9-6+
InChIKeyGVCZWEYGBLZDBS-RMKNXTFCSA-N
MW245.28 g/mol
LogP2.39
Rot. Bonds4

About methyl (E)-3-[4-(2-methylprop-2-enoylamino)phenyl]prop-2-enoate

methyl (E)-3-[4-(2-methylprop-2-enoylamino)phenyl]prop-2-enoate (PubChem CID 18329218) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is methyl (E)-3-[4-(2-methylprop-2-enoylamino)phenyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[4-(2-methylprop-2-enoylamino)phenyl]prop-2-enoate
PubChem CID18329218
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Namemethyl (E)-3-[4-(2-methylprop-2-enoylamino)phenyl]prop-2-enoate
SMILESC=C(C)C(=O)Nc1ccc(/C=C/C(=O)OC)cc1
InChIInChI=1S/C14H15NO3/c1-10(2)14(17)15-12-7-4-11(5-8-12)6-9-13(16)18-3/h4-9H,1H2,2-3H3,(H,15,17)/b9-6+
InChIKeyGVCZWEYGBLZDBS-RMKNXTFCSA-N
XLogP2.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-3-[4-[[4-[(E)-3-methoxy-3-oxoprop-1-enyl]anilino]methylamino]phenyl]prop-2-enoate
CID 102327819
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methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
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CID 622059
methyl 3-(4-bromophenyl)prop-2-enoate
CID 816773
2-methyl-N-[3-[3-[4-[3-[3-(2-methylprop-2-enoylamino)phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]prop-2-enamide
CID 2832522
methyl (E)-3-[4-(2-hydroxyethylamino)phenyl]prop-2-enoate
CID 18943724
ethane;methyl acetate;methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 142213169
methyl (E)-3-[4-(6-aminohexanoylamino)phenyl]prop-2-enoate;hydrochloride
CID 18690273
N-[4-[(1Z,4E)-5-(4-acetamidophenyl)-3-oxopenta-1,4-dienyl]phenyl]acetamide
CID 92840931
[6-(3-methoxy-3-oxoprop-1-enyl)naphthalen-2-yl] 2-methylprop-2-enoate
CID 54241956
methyl (E)-3-[4-(hydroxyiminomethyl)phenyl]prop-2-enoate
CID 173183558

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[4-(2-methylprop-2-enoylamino)phenyl]prop-2-enoate?
The IUPAC name of methyl (E)-3-[4-(2-methylprop-2-enoylamino)phenyl]prop-2-enoate (CID 18329218) is methyl (E)-3-[4-(2-methylprop-2-enoylamino)phenyl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[4-(2-methylprop-2-enoylamino)phenyl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[4-(2-methylprop-2-enoylamino)phenyl]prop-2-enoate is C=C(C)C(=O)Nc1ccc(/C=C/C(=O)OC)cc1.
What is the InChIKey of methyl (E)-3-[4-(2-methylprop-2-enoylamino)phenyl]prop-2-enoate?
The InChIKey is GVCZWEYGBLZDBS-RMKNXTFCSA-N. The full InChI is InChI=1S/C14H15NO3/c1-10(2)14(17)15-12-7-4-11(5-8-12)6-9-13(16)18-3/h4-9H,1H2,2-3H3,(H,15,17)/b9-6+.
What are the key properties of methyl (E)-3-[4-(2-methylprop-2-enoylamino)phenyl]prop-2-enoate?
methyl (E)-3-[4-(2-methylprop-2-enoylamino)phenyl]prop-2-enoate has a molecular weight of 245.28 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[4-(2-methylprop-2-enoylamino)phenyl]prop-2-enoate is sourced from PubChem (CID 18329218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).