(E)-3-(3-aminophenyl)-N-methyl-N-(2-methyloxolan-3-yl)prop-2-enamide

C15H20N2O2 — CID 82737937

IUPAC(E)-3-(3-aminophenyl)-N-methyl-N-(2-methyloxolan-3-yl)prop-2-enamide
SMILESCC1OCCC1N(C)C(=O)/C=C/c1cccc(N)c1
InChIInChI=1S/C15H20N2O2/c1-11-14(8-9-19-11)17(2)15(18)7-6-12-4-3-5-13(16)10-12/h3-7,10-11,14H,8-9,16H2,1-2H3/b7-6+
InChIKeyABYZXVYQVXTLGT-VOTSOKGWSA-N
MW260.34 g/mol
LogP1.92
Rot. Bonds3

About (E)-3-(3-aminophenyl)-N-methyl-N-(2-methyloxolan-3-yl)prop-2-enamide

(E)-3-(3-aminophenyl)-N-methyl-N-(2-methyloxolan-3-yl)prop-2-enamide (PubChem CID 82737937) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (E)-3-(3-aminophenyl)-N-methyl-N-(2-methyloxolan-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-aminophenyl)-N-methyl-N-(2-methyloxolan-3-yl)prop-2-enamide
PubChem CID82737937
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(E)-3-(3-aminophenyl)-N-methyl-N-(2-methyloxolan-3-yl)prop-2-enamide
SMILESCC1OCCC1N(C)C(=O)/C=C/c1cccc(N)c1
InChIInChI=1S/C15H20N2O2/c1-11-14(8-9-19-11)17(2)15(18)7-6-12-4-3-5-13(16)10-12/h3-7,10-11,14H,8-9,16H2,1-2H3/b7-6+
InChIKeyABYZXVYQVXTLGT-VOTSOKGWSA-N
XLogP1.92
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-aminophenyl)-N-methyl-N-(oxan-4-yl)prop-2-enamide
CID 115342972
(E)-3-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)prop-2-enamide
CID 82738879
(E)-3-(3-aminophenyl)-N-(1-ethylpiperidin-4-yl)-N-methylprop-2-enamide
CID 115342926
5-amino-2-fluoro-N-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82741761
(E)-3-(3-aminophenyl)-N,N-diethylprop-2-enamide
CID 39243869
(E)-3-(3-aminophenyl)-N-methyl-N-(4-methylphenyl)prop-2-enamide
CID 115343909
(E)-3-(3-aminophenyl)-1-(2-methylmorpholin-4-yl)prop-2-en-1-one
CID 113290787
2-[[(E)-3-(3-aminophenyl)prop-2-enoyl]-methylamino]-2-methylpropanoic acid
CID 115344008
(E)-3-(3-aminophenyl)-N-butan-2-yl-N-methylprop-2-enamide
CID 115342800
1-(3-aminophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanol
CID 82732340
(E)-3-(3-aminophenyl)-N-[3-(dimethylamino)propyl]-N-methylprop-2-enamide
CID 115344167
3-[[(E)-3-(3-aminophenyl)prop-2-enoyl]-tert-butylamino]propanoic acid
CID 115343546

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-aminophenyl)-N-methyl-N-(2-methyloxolan-3-yl)prop-2-enamide?
The IUPAC name of (E)-3-(3-aminophenyl)-N-methyl-N-(2-methyloxolan-3-yl)prop-2-enamide (CID 82737937) is (E)-3-(3-aminophenyl)-N-methyl-N-(2-methyloxolan-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-aminophenyl)-N-methyl-N-(2-methyloxolan-3-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-aminophenyl)-N-methyl-N-(2-methyloxolan-3-yl)prop-2-enamide is CC1OCCC1N(C)C(=O)/C=C/c1cccc(N)c1.
What is the InChIKey of (E)-3-(3-aminophenyl)-N-methyl-N-(2-methyloxolan-3-yl)prop-2-enamide?
The InChIKey is ABYZXVYQVXTLGT-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11-14(8-9-19-11)17(2)15(18)7-6-12-4-3-5-13(16)10-12/h3-7,10-11,14H,8-9,16H2,1-2H3/b7-6+.
What are the key properties of (E)-3-(3-aminophenyl)-N-methyl-N-(2-methyloxolan-3-yl)prop-2-enamide?
(E)-3-(3-aminophenyl)-N-methyl-N-(2-methyloxolan-3-yl)prop-2-enamide has a molecular weight of 260.34 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-aminophenyl)-N-methyl-N-(2-methyloxolan-3-yl)prop-2-enamide is sourced from PubChem (CID 82737937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).