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

C14H18N2O2 — CID 82738879

IUPAC(E)-3-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)prop-2-enamide
SMILESCN(C(=O)/C=C/c1cccc(N)c1)C1CCOC1
InChIInChI=1S/C14H18N2O2/c1-16(13-7-8-18-10-13)14(17)6-5-11-3-2-4-12(15)9-11/h2-6,9,13H,7-8,10,15H2,1H3/b6-5+
InChIKeyRDJSVFUKNFGJJD-AATRIKPKSA-N
MW246.31 g/mol
LogP1.53
Rot. Bonds3

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

(E)-3-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)prop-2-enamide (PubChem CID 82738879) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is (E)-3-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)prop-2-enamide
PubChem CID82738879
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name(E)-3-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)prop-2-enamide
SMILESCN(C(=O)/C=C/c1cccc(N)c1)C1CCOC1
InChIInChI=1S/C14H18N2O2/c1-16(13-7-8-18-10-13)14(17)6-5-11-3-2-4-12(15)9-11/h2-6,9,13H,7-8,10,15H2,1H3/b6-5+
InChIKeyRDJSVFUKNFGJJD-AATRIKPKSA-N
XLogP1.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.53
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-(2-methyloxolan-3-yl)prop-2-enamide
CID 82737937
(E)-3-(3-aminophenyl)-N-(1-ethylpiperidin-4-yl)-N-methylprop-2-enamide
CID 115342926
3-(3-aminophenyl)-1-methyl-1-(oxolan-3-yl)urea
CID 82739651
(E)-3-(9-ethylcarbazol-3-yl)-N-methyl-N-(oxolan-3-yl)prop-2-enamide
CID 86896908
3-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)propanamide
CID 82740888
(E)-N-(oxolan-3-yl)-N,3-diphenylprop-2-enamide
CID 146661343
(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
4-amino-N,2-dimethyl-N-(oxolan-3-yl)benzamide
CID 82740644
3-(3-bromophenyl)-N-cyclohexyl-N-methylprop-2-enamide
CID 3285208

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)prop-2-enamide?
The IUPAC name of (E)-3-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)prop-2-enamide (CID 82738879) is (E)-3-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)prop-2-enamide is CN(C(=O)/C=C/c1cccc(N)c1)C1CCOC1.
What is the InChIKey of (E)-3-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)prop-2-enamide?
The InChIKey is RDJSVFUKNFGJJD-AATRIKPKSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-16(13-7-8-18-10-13)14(17)6-5-11-3-2-4-12(15)9-11/h2-6,9,13H,7-8,10,15H2,1H3/b6-5+.
What are the key properties of (E)-3-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)prop-2-enamide?
(E)-3-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)prop-2-enamide has a molecular weight of 246.31 g/mol, XLogP of 1.53, 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-(oxolan-3-yl)prop-2-enamide is sourced from PubChem (CID 82738879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).