(E)-3-(3-aminophenyl)-N-(2-tert-butylphenyl)prop-2-enamide

C19H22N2O — CID 39403849

IUPAC(E)-3-(3-aminophenyl)-N-(2-tert-butylphenyl)prop-2-enamide
SMILESCC(C)(C)c1ccccc1NC(=O)/C=C/c1cccc(N)c1
InChIInChI=1S/C19H22N2O/c1-19(2,3)16-9-4-5-10-17(16)21-18(22)12-11-14-7-6-8-15(20)13-14/h4-13H,20H2,1-3H3,(H,21,22)/b12-11+
InChIKeyMEGSECCRLUSENY-VAWYXSNFSA-N
MW294.40 g/mol
LogP4.22
Rot. Bonds3

About (E)-3-(3-aminophenyl)-N-(2-tert-butylphenyl)prop-2-enamide

(E)-3-(3-aminophenyl)-N-(2-tert-butylphenyl)prop-2-enamide (PubChem CID 39403849) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is (E)-3-(3-aminophenyl)-N-(2-tert-butylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-aminophenyl)-N-(2-tert-butylphenyl)prop-2-enamide
PubChem CID39403849
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name(E)-3-(3-aminophenyl)-N-(2-tert-butylphenyl)prop-2-enamide
SMILESCC(C)(C)c1ccccc1NC(=O)/C=C/c1cccc(N)c1
InChIInChI=1S/C19H22N2O/c1-19(2,3)16-9-4-5-10-17(16)21-18(22)12-11-14-7-6-8-15(20)13-14/h4-13H,20H2,1-3H3,(H,21,22)/b12-11+
InChIKeyMEGSECCRLUSENY-VAWYXSNFSA-N
XLogP4.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.22
H-Bond Donors ≤ 52
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-(2-chlorophenyl)prop-2-enamide
CID 39371944
(E)-3-(3-aminophenyl)-N-(4-hydroxy-2,5-dimethylphenyl)prop-2-enamide
CID 106954289
(E)-3-(3-aminophenyl)-N-(3-bromo-2-methylphenyl)prop-2-enamide
CID 107625190
(E)-3-(3-aminophenyl)-N-ethylprop-2-enamide
CID 39238221
(E)-3-(3-aminophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide
CID 115342702
(E)-3-(3-aminophenyl)-N-(2-bromo-4-fluorophenyl)prop-2-enamide
CID 115342735
(E)-3-(3-aminophenyl)-N-(4-fluoro-2-iodophenyl)prop-2-enamide
CID 115344597
(E)-3-(3-aminophenyl)-N-(4-fluoro-2-methoxyphenyl)prop-2-enamide
CID 115343780
ethane;methyl (E)-3-(3-aminophenyl)prop-2-enoate
CID 144922211
(E)-3-(3-aminophenyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)prop-2-enamide
CID 106254784
(E)-3-(3-aminophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)prop-2-enamide
CID 106247615
(E)-N-(2-tert-butylphenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 7920115

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-aminophenyl)-N-(2-tert-butylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-aminophenyl)-N-(2-tert-butylphenyl)prop-2-enamide (CID 39403849) is (E)-3-(3-aminophenyl)-N-(2-tert-butylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-aminophenyl)-N-(2-tert-butylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-aminophenyl)-N-(2-tert-butylphenyl)prop-2-enamide is CC(C)(C)c1ccccc1NC(=O)/C=C/c1cccc(N)c1.
What is the InChIKey of (E)-3-(3-aminophenyl)-N-(2-tert-butylphenyl)prop-2-enamide?
The InChIKey is MEGSECCRLUSENY-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H22N2O/c1-19(2,3)16-9-4-5-10-17(16)21-18(22)12-11-14-7-6-8-15(20)13-14/h4-13H,20H2,1-3H3,(H,21,22)/b12-11+.
What are the key properties of (E)-3-(3-aminophenyl)-N-(2-tert-butylphenyl)prop-2-enamide?
(E)-3-(3-aminophenyl)-N-(2-tert-butylphenyl)prop-2-enamide has a molecular weight of 294.40 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-aminophenyl)-N-(2-tert-butylphenyl)prop-2-enamide is sourced from PubChem (CID 39403849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).