N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide

C23H26N2O5 — CID 42394257

IUPACN-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
SMILESC=CCc1ccc(OCC(=O)Nc2ccc(N3CCCC3=O)c(OC)c2)c(OC)c1
InChIInChI=1S/C23H26N2O5/c1-4-6-16-8-11-19(21(13-16)29-3)30-15-22(26)24-17-9-10-18(20(14-17)28-2)25-12-5-7-23(25)27/h4,8-11,13-14H,1,5-7,12,15H2,2-3H3,(H,24,26)
InChIKeyWZMWSNJGWRCDNM-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.58
Rot. Bonds9

About N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide

N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide (PubChem CID 42394257) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
PubChem CID42394257
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC NameN-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
SMILESC=CCc1ccc(OCC(=O)Nc2ccc(N3CCCC3=O)c(OC)c2)c(OC)c1
InChIInChI=1S/C23H26N2O5/c1-4-6-16-8-11-19(21(13-16)29-3)30-15-22(26)24-17-9-10-18(20(14-17)28-2)25-12-5-7-23(25)27/h4,8-11,13-14H,1,5-7,12,15H2,2-3H3,(H,24,26)
InChIKeyWZMWSNJGWRCDNM-UHFFFAOYSA-N
XLogP3.58
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 42525030
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 24683432
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(4-phenylphenyl)acetamide
CID 7686701
3-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropanoic acid
CID 62232072
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 42396014
N-(4-ethoxyphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 26915649
2-(2-methoxy-4-prop-2-enylphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 55884526
2-(2-fluorophenoxy)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7687155
2-(4-formyl-2-methoxyphenoxy)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 26459128
2-(3,4-dimethoxyphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686452
S-[4-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56529727
2-(2-methoxy-4-prop-2-enylphenoxy)-N-(3-methylsulfanylphenyl)acetamide
CID 26086828

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
The IUPAC name of N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide (CID 42394257) is N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide.
What is the SMILES notation for N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
The canonical SMILES for N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide is C=CCc1ccc(OCC(=O)Nc2ccc(N3CCCC3=O)c(OC)c2)c(OC)c1.
What is the InChIKey of N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
The InChIKey is WZMWSNJGWRCDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-4-6-16-8-11-19(21(13-16)29-3)30-15-22(26)24-17-9-10-18(20(14-17)28-2)25-12-5-7-23(25)27/h4,8-11,13-14H,1,5-7,12,15H2,2-3H3,(H,24,26).
What are the key properties of N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide has a molecular weight of 410.47 g/mol, XLogP of 3.58, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide is sourced from PubChem (CID 42394257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).