(E)-2-(4-hydroxyphenyl)-N-[4-[2-(methylamino)ethoxy]phenyl]-3-(2-methylphenyl)pent-2-enamide

C27H30N2O3 — CID 71011266

IUPAC(E)-2-(4-hydroxyphenyl)-N-[4-[2-(methylamino)ethoxy]phenyl]-3-(2-methylphenyl)pent-2-enamide
SMILESCC/C(=C(\C(=O)Nc1ccc(OCCNC)cc1)c1ccc(O)cc1)c1ccccc1C
InChIInChI=1S/C27H30N2O3/c1-4-24(25-8-6-5-7-19(25)2)26(20-9-13-22(30)14-10-20)27(31)29-21-11-15-23(16-12-21)32-18-17-28-3/h5-16,28,30H,4,17-18H2,1-3H3,(H,29,31)/b26-24+
InChIKeyFSKQQNANKWGVKY-SHHOIMCASA-N
MW430.55 g/mol
LogP5.26
Rot. Bonds9

About (E)-2-(4-hydroxyphenyl)-N-[4-[2-(methylamino)ethoxy]phenyl]-3-(2-methylphenyl)pent-2-enamide

(E)-2-(4-hydroxyphenyl)-N-[4-[2-(methylamino)ethoxy]phenyl]-3-(2-methylphenyl)pent-2-enamide (PubChem CID 71011266) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is (E)-2-(4-hydroxyphenyl)-N-[4-[2-(methylamino)ethoxy]phenyl]-3-(2-methylphenyl)pent-2-enamide.

Molecular Properties

Compound Name(E)-2-(4-hydroxyphenyl)-N-[4-[2-(methylamino)ethoxy]phenyl]-3-(2-methylphenyl)pent-2-enamide
PubChem CID71011266
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC Name(E)-2-(4-hydroxyphenyl)-N-[4-[2-(methylamino)ethoxy]phenyl]-3-(2-methylphenyl)pent-2-enamide
SMILESCC/C(=C(\C(=O)Nc1ccc(OCCNC)cc1)c1ccc(O)cc1)c1ccccc1C
InChIInChI=1S/C27H30N2O3/c1-4-24(25-8-6-5-7-19(25)2)26(20-9-13-22(30)14-10-20)27(31)29-21-11-15-23(16-12-21)32-18-17-28-3/h5-16,28,30H,4,17-18H2,1-3H3,(H,29,31)/b26-24+
InChIKeyFSKQQNANKWGVKY-SHHOIMCASA-N
XLogP5.26
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-bis(4-hydroxyphenyl)pent-2-enamide
CID 68732320
(Z)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-hydroxy-2-methylphenyl)-3-phenylpent-2-enamide
CID 68987216
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-hydroxyphenyl)-3,3-diphenylprop-2-enamide
CID 42603085
4-[(Z)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol;hydrochloride
CID 54613017
(E)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(3-hydroxyphenyl)-3-phenylpent-2-enamide
CID 68732761
N-[4-[[(4-hexoxybenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide
CID 4933795
(E)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-[4-(methoxymethoxy)phenyl]-3-(4-methylphenyl)pent-2-enamide
CID 68985432
ethyl N-[2-[4-(2-methylbenzoyl)phenoxy]ethyl]carbamate
CID 54333004
4-[2-(dimethylamino)ethoxy]aniline;N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-diphenylpent-2-enamide;2,3-diphenylpent-2-enoic acid;hydrochloride
CID 158123714
N-[4-(2-hydroxyethoxy)phenyl]-2-methylbenzamide
CID 111116241
N-(4-ethoxyphenyl)-2-methylbenzamide
CID 710558
3-[(E)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
CID 3035880

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-hydroxyphenyl)-N-[4-[2-(methylamino)ethoxy]phenyl]-3-(2-methylphenyl)pent-2-enamide?
The IUPAC name of (E)-2-(4-hydroxyphenyl)-N-[4-[2-(methylamino)ethoxy]phenyl]-3-(2-methylphenyl)pent-2-enamide (CID 71011266) is (E)-2-(4-hydroxyphenyl)-N-[4-[2-(methylamino)ethoxy]phenyl]-3-(2-methylphenyl)pent-2-enamide.
What is the SMILES notation for (E)-2-(4-hydroxyphenyl)-N-[4-[2-(methylamino)ethoxy]phenyl]-3-(2-methylphenyl)pent-2-enamide?
The canonical SMILES for (E)-2-(4-hydroxyphenyl)-N-[4-[2-(methylamino)ethoxy]phenyl]-3-(2-methylphenyl)pent-2-enamide is CC/C(=C(\C(=O)Nc1ccc(OCCNC)cc1)c1ccc(O)cc1)c1ccccc1C.
What is the InChIKey of (E)-2-(4-hydroxyphenyl)-N-[4-[2-(methylamino)ethoxy]phenyl]-3-(2-methylphenyl)pent-2-enamide?
The InChIKey is FSKQQNANKWGVKY-SHHOIMCASA-N. The full InChI is InChI=1S/C27H30N2O3/c1-4-24(25-8-6-5-7-19(25)2)26(20-9-13-22(30)14-10-20)27(31)29-21-11-15-23(16-12-21)32-18-17-28-3/h5-16,28,30H,4,17-18H2,1-3H3,(H,29,31)/b26-24+.
What are the key properties of (E)-2-(4-hydroxyphenyl)-N-[4-[2-(methylamino)ethoxy]phenyl]-3-(2-methylphenyl)pent-2-enamide?
(E)-2-(4-hydroxyphenyl)-N-[4-[2-(methylamino)ethoxy]phenyl]-3-(2-methylphenyl)pent-2-enamide has a molecular weight of 430.55 g/mol, XLogP of 5.26, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-hydroxyphenyl)-N-[4-[2-(methylamino)ethoxy]phenyl]-3-(2-methylphenyl)pent-2-enamide is sourced from PubChem (CID 71011266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).