(E)-3-(3-aminophenyl)-N-methyl-N-(oxan-4-yl)prop-2-enamide

C15H20N2O2 — CID 115342972

IUPAC(E)-3-(3-aminophenyl)-N-methyl-N-(oxan-4-yl)prop-2-enamide
SMILESCN(C(=O)/C=C/c1cccc(N)c1)C1CCOCC1
InChIInChI=1S/C15H20N2O2/c1-17(14-7-9-19-10-8-14)15(18)6-5-12-3-2-4-13(16)11-12/h2-6,11,14H,7-10,16H2,1H3/b6-5+
InChIKeyRMLRZLWZGVZBRK-AATRIKPKSA-N
MW260.34 g/mol
LogP1.92
Rot. Bonds3

About (E)-3-(3-aminophenyl)-N-methyl-N-(oxan-4-yl)prop-2-enamide

(E)-3-(3-aminophenyl)-N-methyl-N-(oxan-4-yl)prop-2-enamide (PubChem CID 115342972) 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-(oxan-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-aminophenyl)-N-methyl-N-(oxan-4-yl)prop-2-enamide
PubChem CID115342972
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(E)-3-(3-aminophenyl)-N-methyl-N-(oxan-4-yl)prop-2-enamide
SMILESCN(C(=O)/C=C/c1cccc(N)c1)C1CCOCC1
InChIInChI=1S/C15H20N2O2/c1-17(14-7-9-19-10-8-14)15(18)6-5-12-3-2-4-13(16)11-12/h2-6,11,14H,7-10,16H2,1H3/b6-5+
InChIKeyRMLRZLWZGVZBRK-AATRIKPKSA-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-(oxolan-3-yl)prop-2-enamide
CID 82738879
(E)-3-(3-aminophenyl)-N-(1-ethylpiperidin-4-yl)-N-methylprop-2-enamide
CID 115342926
(E)-3-(3-aminophenyl)-N-methyl-N-(2-methyloxolan-3-yl)prop-2-enamide
CID 82737937
3-(3-bromophenyl)-N-cyclohexyl-N-methylprop-2-enamide
CID 3285208
(E)-N-cycloheptyl-3-(3-methoxyphenyl)-N-methylprop-2-enamide
CID 55468763
(E)-3-(3-aminophenyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 115343806
(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-(4-aminophenyl)-N-(4,4-dimethylcyclohexyl)-N-methylprop-2-enamide
CID 115344642
(E)-3-(4-aminophenyl)-N-(4-ethylcyclohexyl)-N-methylprop-2-enamide
CID 115343447
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

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-aminophenyl)-N-methyl-N-(oxan-4-yl)prop-2-enamide?
The IUPAC name of (E)-3-(3-aminophenyl)-N-methyl-N-(oxan-4-yl)prop-2-enamide (CID 115342972) is (E)-3-(3-aminophenyl)-N-methyl-N-(oxan-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-aminophenyl)-N-methyl-N-(oxan-4-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-aminophenyl)-N-methyl-N-(oxan-4-yl)prop-2-enamide is CN(C(=O)/C=C/c1cccc(N)c1)C1CCOCC1.
What is the InChIKey of (E)-3-(3-aminophenyl)-N-methyl-N-(oxan-4-yl)prop-2-enamide?
The InChIKey is RMLRZLWZGVZBRK-AATRIKPKSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-17(14-7-9-19-10-8-14)15(18)6-5-12-3-2-4-13(16)11-12/h2-6,11,14H,7-10,16H2,1H3/b6-5+.
What are the key properties of (E)-3-(3-aminophenyl)-N-methyl-N-(oxan-4-yl)prop-2-enamide?
(E)-3-(3-aminophenyl)-N-methyl-N-(oxan-4-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-(oxan-4-yl)prop-2-enamide is sourced from PubChem (CID 115342972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).