(Z)-N-[2-[2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide

C24H28N2O8 — CID 74227353

IUPAC(Z)-N-[2-[2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
SMILESCOc1ccc(C(C)=O)c(OCC2CN(C(=O)CNC(=O)/C=C\c3ccco3)CCO2)c1OC
InChIInChI=1S/C24H28N2O8/c1-16(27)19-7-8-20(30-2)24(31-3)23(19)34-15-18-14-26(10-12-33-18)22(29)13-25-21(28)9-6-17-5-4-11-32-17/h4-9,11,18H,10,12-15H2,1-3H3,(H,25,28)/b9-6-
InChIKeyLECMDWHUUPAKCF-TWGQIWQCSA-N
MW472.49 g/mol
LogP1.94
Rot. Bonds10

About (Z)-N-[2-[2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide

(Z)-N-[2-[2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 74227353) has the molecular formula C24H28N2O8 and a molecular weight of 472.49 g/mol. Its IUPAC name is (Z)-N-[2-[2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[2-[2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
PubChem CID74227353
Molecular FormulaC24H28N2O8
Molecular Weight472.49 g/mol
Exact Mass472.18
IUPAC Name(Z)-N-[2-[2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
SMILESCOc1ccc(C(C)=O)c(OCC2CN(C(=O)CNC(=O)/C=C\c3ccco3)CCO2)c1OC
InChIInChI=1S/C24H28N2O8/c1-16(27)19-7-8-20(30-2)24(31-3)23(19)34-15-18-14-26(10-12-33-18)22(29)13-25-21(28)9-6-17-5-4-11-32-17/h4-9,11,18H,10,12-15H2,1-3H3,(H,25,28)/b9-6-
InChIKeyLECMDWHUUPAKCF-TWGQIWQCSA-N
XLogP1.94
TPSA116.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.49
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]morpholin-4-yl]-2-methylpent-2-en-1-one
CID 4685886
1-[2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]morpholin-4-yl]-2-(3-bromo-4-methoxyphenyl)ethanone
CID 3697779
2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide
CID 3783712
methyl (2S)-2-[[2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]morpholine-4-carbonyl]amino]-4-methylsulfanylbutanoate
CID 74226792
1-[2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]morpholin-4-yl]-2-(5-chloro-1-benzothiophen-3-yl)ethanone
CID 3778258
1-[2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-2-(2,3,4-trimethoxyphenyl)ethanone
CID 46100107
1-[3,4-dimethoxy-2-[[4-(5-methoxy-1-benzofuran-2-carbonyl)morpholin-2-yl]methoxy]phenyl]ethanone
CID 3773726
1-[3,4-dimethoxy-2-[[4-(3-phenylcinnoline-4-carbonyl)morpholin-2-yl]methoxy]phenyl]ethanone
CID 6413219
[3-[[2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]morpholin-4-yl]methyl]phenyl] acetate
CID 3859572
3-(furan-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enamide
CID 607372
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
1-[3,4-dimethoxy-2-[[4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]methoxy]phenyl]ethanone
CID 74224424

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-[2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (Z)-N-[2-[2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide (CID 74227353) is (Z)-N-[2-[2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (Z)-N-[2-[2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (Z)-N-[2-[2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide is COc1ccc(C(C)=O)c(OCC2CN(C(=O)CNC(=O)/C=C\c3ccco3)CCO2)c1OC.
What is the InChIKey of (Z)-N-[2-[2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is LECMDWHUUPAKCF-TWGQIWQCSA-N. The full InChI is InChI=1S/C24H28N2O8/c1-16(27)19-7-8-20(30-2)24(31-3)23(19)34-15-18-14-26(10-12-33-18)22(29)13-25-21(28)9-6-17-5-4-11-32-17/h4-9,11,18H,10,12-15H2,1-3H3,(H,25,28)/b9-6-.
What are the key properties of (Z)-N-[2-[2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide?
(Z)-N-[2-[2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide has a molecular weight of 472.49 g/mol, XLogP of 1.94, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-[2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 74227353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).