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

C17H18N2O — CID 115343909

IUPAC(E)-3-(3-aminophenyl)-N-methyl-N-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(N(C)C(=O)/C=C/c2cccc(N)c2)cc1
InChIInChI=1S/C17H18N2O/c1-13-6-9-16(10-7-13)19(2)17(20)11-8-14-4-3-5-15(18)12-14/h3-12H,18H2,1-2H3/b11-8+
InChIKeyIOXVTLLAHAAYCF-DHZHZOJOSA-N
MW266.34 g/mol
LogP3.25
Rot. Bonds3

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

(E)-3-(3-aminophenyl)-N-methyl-N-(4-methylphenyl)prop-2-enamide (PubChem CID 115343909) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is (E)-3-(3-aminophenyl)-N-methyl-N-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-aminophenyl)-N-methyl-N-(4-methylphenyl)prop-2-enamide
PubChem CID115343909
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name(E)-3-(3-aminophenyl)-N-methyl-N-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(N(C)C(=O)/C=C/c2cccc(N)c2)cc1
InChIInChI=1S/C17H18N2O/c1-13-6-9-16(10-7-13)19(2)17(20)11-8-14-4-3-5-15(18)12-14/h3-12H,18H2,1-2H3/b11-8+
InChIKeyIOXVTLLAHAAYCF-DHZHZOJOSA-N
XLogP3.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(3-methylphenyl)methyl]prop-2-enamide
CID 115343261
(E)-3-(3-aminophenyl)-N,N-diethylprop-2-enamide
CID 39243869
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
(E)-3-(3,5-dimethoxyphenyl)-N-methyl-N-(4-methylphenyl)prop-2-enamide
CID 52851117
(E)-3-(3-aminophenyl)-N-[3-(dimethylamino)propyl]-N-methylprop-2-enamide
CID 115344167
(E)-3-(3-fluorophenyl)-N-(4-hydroxyphenyl)-N-methylprop-2-enamide
CID 84554353
(E)-3-(3-aminophenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]prop-2-enamide
CID 115344734
(E)-3-(3-aminophenyl)-N-methyl-N-(2-phenylethyl)prop-2-enamide
CID 115343324
(E)-3-(3-aminophenyl)-N-methyl-N-(oxan-4-yl)prop-2-enamide
CID 115342972
(E)-3-(3-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)prop-2-enamide
CID 115343398
(E)-3-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)prop-2-enamide
CID 82738879

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-aminophenyl)-N-methyl-N-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-aminophenyl)-N-methyl-N-(4-methylphenyl)prop-2-enamide (CID 115343909) is (E)-3-(3-aminophenyl)-N-methyl-N-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-aminophenyl)-N-methyl-N-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-aminophenyl)-N-methyl-N-(4-methylphenyl)prop-2-enamide is Cc1ccc(N(C)C(=O)/C=C/c2cccc(N)c2)cc1.
What is the InChIKey of (E)-3-(3-aminophenyl)-N-methyl-N-(4-methylphenyl)prop-2-enamide?
The InChIKey is IOXVTLLAHAAYCF-DHZHZOJOSA-N. The full InChI is InChI=1S/C17H18N2O/c1-13-6-9-16(10-7-13)19(2)17(20)11-8-14-4-3-5-15(18)12-14/h3-12H,18H2,1-2H3/b11-8+.
What are the key properties of (E)-3-(3-aminophenyl)-N-methyl-N-(4-methylphenyl)prop-2-enamide?
(E)-3-(3-aminophenyl)-N-methyl-N-(4-methylphenyl)prop-2-enamide has a molecular weight of 266.34 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-aminophenyl)-N-methyl-N-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 115343909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).