(E)-3-(3-aminophenyl)-N-(4-propan-2-yloxyphenyl)prop-2-enamide

C18H20N2O2 — CID 39406540

IUPAC(E)-3-(3-aminophenyl)-N-(4-propan-2-yloxyphenyl)prop-2-enamide
SMILESCC(C)Oc1ccc(NC(=O)/C=C/c2cccc(N)c2)cc1
InChIInChI=1S/C18H20N2O2/c1-13(2)22-17-9-7-16(8-10-17)20-18(21)11-6-14-4-3-5-15(19)12-14/h3-13H,19H2,1-2H3,(H,20,21)/b11-6+
InChIKeyBMDBONGCMLUGSP-IZZDOVSWSA-N
MW296.37 g/mol
LogP3.71
Rot. Bonds5

About (E)-3-(3-aminophenyl)-N-(4-propan-2-yloxyphenyl)prop-2-enamide

(E)-3-(3-aminophenyl)-N-(4-propan-2-yloxyphenyl)prop-2-enamide (PubChem CID 39406540) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (E)-3-(3-aminophenyl)-N-(4-propan-2-yloxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-aminophenyl)-N-(4-propan-2-yloxyphenyl)prop-2-enamide
PubChem CID39406540
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(E)-3-(3-aminophenyl)-N-(4-propan-2-yloxyphenyl)prop-2-enamide
SMILESCC(C)Oc1ccc(NC(=O)/C=C/c2cccc(N)c2)cc1
InChIInChI=1S/C18H20N2O2/c1-13(2)22-17-9-7-16(8-10-17)20-18(21)11-6-14-4-3-5-15(19)12-14/h3-13H,19H2,1-2H3,(H,20,21)/b11-6+
InChIKeyBMDBONGCMLUGSP-IZZDOVSWSA-N
XLogP3.71
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.71
H-Bond Donors ≤ 52
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-amino-4-fluorophenyl)-N-(4-propan-2-yloxyphenyl)prop-2-enamide
CID 39456290
(E)-3-(3-piperidin-1-ylsulfonylphenyl)-N-(4-propan-2-yloxyphenyl)prop-2-enamide
CID 66872579
(E)-3-(3-aminophenyl)-N-(4-hydroxy-3-methylphenyl)prop-2-enamide
CID 115344816
(E)-3-(3-aminophenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 115342730
(E)-3-(3-aminophenyl)-N-(4-fluoro-3-methoxyphenyl)prop-2-enamide
CID 114839695
(E)-3-(3-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 7941296
N,N-dimethyl-4-[(E)-3-oxo-3-(4-propan-2-yloxyanilino)prop-1-enyl]benzamide
CID 110300756
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-fluorophenyl)prop-2-enamide
CID 94760334
(E)-3-(3-aminophenyl)-N-(4-bromo-3-chlorophenyl)prop-2-enamide
CID 107620216
(E)-3-(3-aminophenyl)-N-(3-methylpentan-2-yl)prop-2-enamide
CID 115343736
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide
CID 82153802
2-methyl-N-[4-[3-(3-methylphenyl)prop-2-enoylamino]phenyl]propanamide
CID 78773493

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-aminophenyl)-N-(4-propan-2-yloxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-aminophenyl)-N-(4-propan-2-yloxyphenyl)prop-2-enamide (CID 39406540) is (E)-3-(3-aminophenyl)-N-(4-propan-2-yloxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-aminophenyl)-N-(4-propan-2-yloxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-aminophenyl)-N-(4-propan-2-yloxyphenyl)prop-2-enamide is CC(C)Oc1ccc(NC(=O)/C=C/c2cccc(N)c2)cc1.
What is the InChIKey of (E)-3-(3-aminophenyl)-N-(4-propan-2-yloxyphenyl)prop-2-enamide?
The InChIKey is BMDBONGCMLUGSP-IZZDOVSWSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-13(2)22-17-9-7-16(8-10-17)20-18(21)11-6-14-4-3-5-15(19)12-14/h3-13H,19H2,1-2H3,(H,20,21)/b11-6+.
What are the key properties of (E)-3-(3-aminophenyl)-N-(4-propan-2-yloxyphenyl)prop-2-enamide?
(E)-3-(3-aminophenyl)-N-(4-propan-2-yloxyphenyl)prop-2-enamide has a molecular weight of 296.37 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-aminophenyl)-N-(4-propan-2-yloxyphenyl)prop-2-enamide is sourced from PubChem (CID 39406540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).