(E)-3-(3-aminophenyl)-N-[3-(dimethylamino)propyl]-N-methylprop-2-enamide

C15H23N3O — CID 115344167

IUPAC(E)-3-(3-aminophenyl)-N-[3-(dimethylamino)propyl]-N-methylprop-2-enamide
SMILESCN(C)CCCN(C)C(=O)/C=C/c1cccc(N)c1
InChIInChI=1S/C15H23N3O/c1-17(2)10-5-11-18(3)15(19)9-8-13-6-4-7-14(16)12-13/h4,6-9,12H,5,10-11,16H2,1-3H3/b9-8+
InChIKeySYXLOVVDJAWQOA-CMDGGOBGSA-N
MW261.37 g/mol
LogP1.69
Rot. Bonds6

About (E)-3-(3-aminophenyl)-N-[3-(dimethylamino)propyl]-N-methylprop-2-enamide

(E)-3-(3-aminophenyl)-N-[3-(dimethylamino)propyl]-N-methylprop-2-enamide (PubChem CID 115344167) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (E)-3-(3-aminophenyl)-N-[3-(dimethylamino)propyl]-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-aminophenyl)-N-[3-(dimethylamino)propyl]-N-methylprop-2-enamide
PubChem CID115344167
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(E)-3-(3-aminophenyl)-N-[3-(dimethylamino)propyl]-N-methylprop-2-enamide
SMILESCN(C)CCCN(C)C(=O)/C=C/c1cccc(N)c1
InChIInChI=1S/C15H23N3O/c1-17(2)10-5-11-18(3)15(19)9-8-13-6-4-7-14(16)12-13/h4,6-9,12H,5,10-11,16H2,1-3H3/b9-8+
InChIKeySYXLOVVDJAWQOA-CMDGGOBGSA-N
XLogP1.69
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.69
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-(2-phenylethyl)prop-2-enamide
CID 115343324
(E)-3-(3-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)prop-2-enamide
CID 115343398
(E)-3-(3-aminophenyl)-N-methyl-N-[(3-methylphenyl)methyl]prop-2-enamide
CID 115343261
(E)-3-(3-aminophenyl)-N,N-diethylprop-2-enamide
CID 39243869
(E)-3-(3-aminophenyl)-N-butan-2-yl-N-methylprop-2-enamide
CID 115342800
(E)-3-(3-aminophenyl)-N-methyl-N-(thiophen-3-ylmethyl)prop-2-enamide
CID 115342868
(E)-N-(5-hydroxypentyl)-N-methyl-3-(3-methylphenyl)prop-2-enamide
CID 107202427
3-[[(E)-3-(3-aminophenyl)prop-2-enoyl]-propan-2-ylamino]propanoic acid
CID 115343544
(E)-3-(3-aminophenyl)-N-methyl-N-(4-methylphenyl)prop-2-enamide
CID 115343909
(E)-3-(3-aminophenyl)-N-(2-hydroxyethyl)-N-propylprop-2-enamide
CID 115343268
2-[[(E)-3-(3-aminophenyl)prop-2-enoyl]-methylamino]-2-methylpropanoic acid
CID 115344008
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-[3-(dimethylamino)propyl]-N-methylprop-2-enamide?
The IUPAC name of (E)-3-(3-aminophenyl)-N-[3-(dimethylamino)propyl]-N-methylprop-2-enamide (CID 115344167) is (E)-3-(3-aminophenyl)-N-[3-(dimethylamino)propyl]-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-(3-aminophenyl)-N-[3-(dimethylamino)propyl]-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-(3-aminophenyl)-N-[3-(dimethylamino)propyl]-N-methylprop-2-enamide is CN(C)CCCN(C)C(=O)/C=C/c1cccc(N)c1.
What is the InChIKey of (E)-3-(3-aminophenyl)-N-[3-(dimethylamino)propyl]-N-methylprop-2-enamide?
The InChIKey is SYXLOVVDJAWQOA-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H23N3O/c1-17(2)10-5-11-18(3)15(19)9-8-13-6-4-7-14(16)12-13/h4,6-9,12H,5,10-11,16H2,1-3H3/b9-8+.
What are the key properties of (E)-3-(3-aminophenyl)-N-[3-(dimethylamino)propyl]-N-methylprop-2-enamide?
(E)-3-(3-aminophenyl)-N-[3-(dimethylamino)propyl]-N-methylprop-2-enamide has a molecular weight of 261.37 g/mol, XLogP of 1.69, 6 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-[3-(dimethylamino)propyl]-N-methylprop-2-enamide is sourced from PubChem (CID 115344167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).