(E)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-hydroxy-2-[4-(methoxymethoxy)phenyl]-3-phenylpent-2-enamide

C29H34N2O5 — CID 68733618

IUPAC(E)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-hydroxy-2-[4-(methoxymethoxy)phenyl]-3-phenylpent-2-enamide
SMILESCOCOc1ccc(/C(C(=O)Nc2ccc(OCCN(C)C)cc2)=C(/CCO)c2ccccc2)cc1
InChIInChI=1S/C29H34N2O5/c1-31(2)18-20-35-25-15-11-24(12-16-25)30-29(33)28(23-9-13-26(14-10-23)36-21-34-3)27(17-19-32)22-7-5-4-6-8-22/h4-16,32H,17-21H2,1-3H3,(H,30,33)/b28-27+
InChIKeyXRHYSRIWCKTHMY-BYYHNAKLSA-N
MW490.60 g/mol
LogP4.54
Rot. Bonds13

About (E)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-hydroxy-2-[4-(methoxymethoxy)phenyl]-3-phenylpent-2-enamide

(E)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-hydroxy-2-[4-(methoxymethoxy)phenyl]-3-phenylpent-2-enamide (PubChem CID 68733618) has the molecular formula C29H34N2O5 and a molecular weight of 490.60 g/mol. Its IUPAC name is (E)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-hydroxy-2-[4-(methoxymethoxy)phenyl]-3-phenylpent-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-hydroxy-2-[4-(methoxymethoxy)phenyl]-3-phenylpent-2-enamide
PubChem CID68733618
Molecular FormulaC29H34N2O5
Molecular Weight490.60 g/mol
Exact Mass490.25
IUPAC Name(E)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-hydroxy-2-[4-(methoxymethoxy)phenyl]-3-phenylpent-2-enamide
SMILESCOCOc1ccc(/C(C(=O)Nc2ccc(OCCN(C)C)cc2)=C(/CCO)c2ccccc2)cc1
InChIInChI=1S/C29H34N2O5/c1-31(2)18-20-35-25-15-11-24(12-16-25)30-29(33)28(23-9-13-26(14-10-23)36-21-34-3)27(17-19-32)22-7-5-4-6-8-22/h4-16,32H,17-21H2,1-3H3,(H,30,33)/b28-27+
InChIKeyXRHYSRIWCKTHMY-BYYHNAKLSA-N
XLogP4.54
TPSA80.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.60
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-hydroxyphenyl)-3,3-diphenylprop-2-enamide
CID 42603085
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-bis(4-hydroxyphenyl)pent-2-enamide
CID 68732320
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)-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
[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;molybdenum
CID 159586330
3-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide
CID 54862434
N-[(Z)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-3,4-diphenylbut-3-enyl]acetamide
CID 145014258
N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(methoxymethyl)benzamide
CID 87006893
[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;(4-hydroxyphenyl)-phenylmethanone
CID 159812426
(Z)-3-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenylprop-2-en-1-ol
CID 57407502

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-hydroxy-2-[4-(methoxymethoxy)phenyl]-3-phenylpent-2-enamide?
The IUPAC name of (E)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-hydroxy-2-[4-(methoxymethoxy)phenyl]-3-phenylpent-2-enamide (CID 68733618) is (E)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-hydroxy-2-[4-(methoxymethoxy)phenyl]-3-phenylpent-2-enamide.
What is the SMILES notation for (E)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-hydroxy-2-[4-(methoxymethoxy)phenyl]-3-phenylpent-2-enamide?
The canonical SMILES for (E)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-hydroxy-2-[4-(methoxymethoxy)phenyl]-3-phenylpent-2-enamide is COCOc1ccc(/C(C(=O)Nc2ccc(OCCN(C)C)cc2)=C(/CCO)c2ccccc2)cc1.
What is the InChIKey of (E)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-hydroxy-2-[4-(methoxymethoxy)phenyl]-3-phenylpent-2-enamide?
The InChIKey is XRHYSRIWCKTHMY-BYYHNAKLSA-N. The full InChI is InChI=1S/C29H34N2O5/c1-31(2)18-20-35-25-15-11-24(12-16-25)30-29(33)28(23-9-13-26(14-10-23)36-21-34-3)27(17-19-32)22-7-5-4-6-8-22/h4-16,32H,17-21H2,1-3H3,(H,30,33)/b28-27+.
What are the key properties of (E)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-hydroxy-2-[4-(methoxymethoxy)phenyl]-3-phenylpent-2-enamide?
(E)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-hydroxy-2-[4-(methoxymethoxy)phenyl]-3-phenylpent-2-enamide has a molecular weight of 490.60 g/mol, XLogP of 4.54, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-hydroxy-2-[4-(methoxymethoxy)phenyl]-3-phenylpent-2-enamide is sourced from PubChem (CID 68733618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).