N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-bis(4-hydroxyphenyl)pent-2-enamide

C27H30N2O4 — CID 68732320

IUPACN-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-bis(4-hydroxyphenyl)pent-2-enamide
SMILESCCC(=C(C(=O)Nc1ccc(OCCN(C)C)cc1)c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C27H30N2O4/c1-4-25(19-5-11-22(30)12-6-19)26(20-7-13-23(31)14-8-20)27(32)28-21-9-15-24(16-10-21)33-18-17-29(2)3/h5-16,30-31H,4,17-18H2,1-3H3,(H,28,32)
InChIKeyZYQIVNYHJRRBAT-UHFFFAOYSA-N
MW446.55 g/mol
LogP5.00
Rot. Bonds9

About N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-bis(4-hydroxyphenyl)pent-2-enamide

N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-bis(4-hydroxyphenyl)pent-2-enamide (PubChem CID 68732320) has the molecular formula C27H30N2O4 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-bis(4-hydroxyphenyl)pent-2-enamide.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-bis(4-hydroxyphenyl)pent-2-enamide
PubChem CID68732320
Molecular FormulaC27H30N2O4
Molecular Weight446.55 g/mol
Exact Mass446.22
IUPAC NameN-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-bis(4-hydroxyphenyl)pent-2-enamide
SMILESCCC(=C(C(=O)Nc1ccc(OCCN(C)C)cc1)c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C27H30N2O4/c1-4-25(19-5-11-22(30)12-6-19)26(20-7-13-23(31)14-8-20)27(32)28-21-9-15-24(16-10-21)33-18-17-29(2)3/h5-16,30-31H,4,17-18H2,1-3H3,(H,28,32)
InChIKeyZYQIVNYHJRRBAT-UHFFFAOYSA-N
XLogP5.00
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-[4-(methoxymethoxy)phenyl]-3-(4-methylphenyl)pent-2-enamide
CID 68985432
(E)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(3-hydroxyphenyl)-3-phenylpent-2-enamide
CID 68732761
(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-[2-(dimethylamino)ethoxy]aniline;N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-diphenylpent-2-enamide;2,3-diphenylpent-2-enoic acid;hydrochloride
CID 158123714
(E)-2-(4-hydroxyphenyl)-N-[4-[2-(methylamino)ethoxy]phenyl]-3-(2-methylphenyl)pent-2-enamide
CID 71011266
4-[(Z)-2-[4-[2-(dimethylamino)ethoxy]phenyl]pent-2-en-3-yl]phenol
CID 164901766
(E)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-hydroxy-2-[4-(methoxymethoxy)phenyl]-3-phenylpent-2-enamide
CID 68733618
4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methylphenyl)but-1-enyl]phenol
CID 70452979
4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methoxyphenyl)but-1-enyl]phenol
CID 15819111
[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;(4-hydroxyphenyl)-phenylmethanone
CID 159812426
4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-propan-2-ylphenyl)but-1-enyl]phenol;hydrochloride
CID 67944530

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-bis(4-hydroxyphenyl)pent-2-enamide?
The IUPAC name of N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-bis(4-hydroxyphenyl)pent-2-enamide (CID 68732320) is N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-bis(4-hydroxyphenyl)pent-2-enamide.
What is the SMILES notation for N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-bis(4-hydroxyphenyl)pent-2-enamide?
The canonical SMILES for N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-bis(4-hydroxyphenyl)pent-2-enamide is CCC(=C(C(=O)Nc1ccc(OCCN(C)C)cc1)c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-bis(4-hydroxyphenyl)pent-2-enamide?
The InChIKey is ZYQIVNYHJRRBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O4/c1-4-25(19-5-11-22(30)12-6-19)26(20-7-13-23(31)14-8-20)27(32)28-21-9-15-24(16-10-21)33-18-17-29(2)3/h5-16,30-31H,4,17-18H2,1-3H3,(H,28,32).
What are the key properties of N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-bis(4-hydroxyphenyl)pent-2-enamide?
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-bis(4-hydroxyphenyl)pent-2-enamide has a molecular weight of 446.55 g/mol, XLogP of 5.00, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-bis(4-hydroxyphenyl)pent-2-enamide is sourced from PubChem (CID 68732320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).