(E)-3-(4-ethoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]prop-2-enamide

C24H29NO4 — CID 94650415

IUPAC(E)-3-(4-ethoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)NCC2(c3ccc(OC)cc3)CCOCC2)cc1
InChIInChI=1S/C24H29NO4/c1-3-29-22-9-4-19(5-10-22)6-13-23(26)25-18-24(14-16-28-17-15-24)20-7-11-21(27-2)12-8-20/h4-13H,3,14-18H2,1-2H3,(H,25,26)/b13-6+
InChIKeyXPJABBAYQOMNSC-AWNIVKPZSA-N
MW395.50 g/mol
LogP3.97
Rot. Bonds8

About (E)-3-(4-ethoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]prop-2-enamide

(E)-3-(4-ethoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]prop-2-enamide (PubChem CID 94650415) has the molecular formula C24H29NO4 and a molecular weight of 395.50 g/mol. Its IUPAC name is (E)-3-(4-ethoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-ethoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]prop-2-enamide
PubChem CID94650415
Molecular FormulaC24H29NO4
Molecular Weight395.50 g/mol
Exact Mass395.21
IUPAC Name(E)-3-(4-ethoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)NCC2(c3ccc(OC)cc3)CCOCC2)cc1
InChIInChI=1S/C24H29NO4/c1-3-29-22-9-4-19(5-10-22)6-13-23(26)25-18-24(14-16-28-17-15-24)20-7-11-21(27-2)12-8-20/h4-13H,3,14-18H2,1-2H3,(H,25,26)/b13-6+
InChIKeyXPJABBAYQOMNSC-AWNIVKPZSA-N
XLogP3.97
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 98935516
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-(4-propan-2-yloxyphenyl)prop-2-enamide
CID 71964859
3-(5-iodofuran-2-yl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]prop-2-enamide
CID 76869686
(E)-3-[4-(dimethylamino)phenyl]-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]prop-2-enamide
CID 110440822
(E)-3-(5-bromothiophen-2-yl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]prop-2-enamide
CID 60578306
(E)-3-(4-methoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide
CID 5399176
3-(1,3-benzothiazol-2-yl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]prop-2-enamide
CID 76869717
2-ethoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27448887
N-[(4-phenyloxan-4-yl)methyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1308572
(E)-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-3-(2-ethoxyphenyl)prop-2-enamide
CID 98935884
N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]pyrrolidine-3-carboxamide
CID 119749600
(E)-3-(3-ethoxy-4-methoxyphenyl)-N-[(1-phenylcyclopropyl)methyl]prop-2-enamide
CID 30664702

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-ethoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-ethoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]prop-2-enamide (CID 94650415) is (E)-3-(4-ethoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-ethoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-ethoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]prop-2-enamide is CCOc1ccc(/C=C/C(=O)NCC2(c3ccc(OC)cc3)CCOCC2)cc1.
What is the InChIKey of (E)-3-(4-ethoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]prop-2-enamide?
The InChIKey is XPJABBAYQOMNSC-AWNIVKPZSA-N. The full InChI is InChI=1S/C24H29NO4/c1-3-29-22-9-4-19(5-10-22)6-13-23(26)25-18-24(14-16-28-17-15-24)20-7-11-21(27-2)12-8-20/h4-13H,3,14-18H2,1-2H3,(H,25,26)/b13-6+.
What are the key properties of (E)-3-(4-ethoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]prop-2-enamide?
(E)-3-(4-ethoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]prop-2-enamide has a molecular weight of 395.50 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-ethoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]prop-2-enamide is sourced from PubChem (CID 94650415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).