(Z)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)-2-methoxyprop-2-enamide

C18H19NO5 — CID 46232496

IUPAC(Z)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)-2-methoxyprop-2-enamide
SMILESCO/C(=C\c1ccc(O)cc1)C(=O)NCC(O)c1ccc(O)cc1
InChIInChI=1S/C18H19NO5/c1-24-17(10-12-2-6-14(20)7-3-12)18(23)19-11-16(22)13-4-8-15(21)9-5-13/h2-10,16,20-22H,11H2,1H3,(H,19,23)/b17-10-
InChIKeyDEIGDDBJHQFPRY-YVLHZVERSA-N
MW329.35 g/mol
LogP1.93
Rot. Bonds6

About (Z)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)-2-methoxyprop-2-enamide

(Z)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)-2-methoxyprop-2-enamide (PubChem CID 46232496) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is (Z)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)-2-methoxyprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)-2-methoxyprop-2-enamide
PubChem CID46232496
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name(Z)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)-2-methoxyprop-2-enamide
SMILESCO/C(=C\c1ccc(O)cc1)C(=O)NCC(O)c1ccc(O)cc1
InChIInChI=1S/C18H19NO5/c1-24-17(10-12-2-6-14(20)7-3-12)18(23)19-11-16(22)13-4-8-15(21)9-5-13/h2-10,16,20-22H,11H2,1H3,(H,19,23)/b17-10-
InChIKeyDEIGDDBJHQFPRY-YVLHZVERSA-N
XLogP1.93
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 51.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide
CID 23874492
(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid
CID 15965811
N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 18442214
(E)-N-[(2S)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
CID 11209675
ethanamine;(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid
CID 173177600
N,N-diethylethanamine;(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid
CID 173177567
[4-[(E)-3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]-3-oxoprop-1-enyl]-2,6-dimethoxyphenyl] acetate
CID 90287762
4-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]phenol
CID 76959355
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-N'-(2,2,2-trifluoroethyl)oxamide
CID 90581699
(Z)-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-2,3-dimethylpent-2-enamide
CID 110025845
2,6-difluoro-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]benzamide
CID 6733826
N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-(2-methylpropyl)oxamide
CID 90534872

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)-2-methoxyprop-2-enamide?
The IUPAC name of (Z)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)-2-methoxyprop-2-enamide (CID 46232496) is (Z)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)-2-methoxyprop-2-enamide.
What is the SMILES notation for (Z)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)-2-methoxyprop-2-enamide?
The canonical SMILES for (Z)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)-2-methoxyprop-2-enamide is CO/C(=C\c1ccc(O)cc1)C(=O)NCC(O)c1ccc(O)cc1.
What is the InChIKey of (Z)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)-2-methoxyprop-2-enamide?
The InChIKey is DEIGDDBJHQFPRY-YVLHZVERSA-N. The full InChI is InChI=1S/C18H19NO5/c1-24-17(10-12-2-6-14(20)7-3-12)18(23)19-11-16(22)13-4-8-15(21)9-5-13/h2-10,16,20-22H,11H2,1H3,(H,19,23)/b17-10-.
What are the key properties of (Z)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)-2-methoxyprop-2-enamide?
(Z)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)-2-methoxyprop-2-enamide has a molecular weight of 329.35 g/mol, XLogP of 1.93, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)-2-methoxyprop-2-enamide is sourced from PubChem (CID 46232496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).