2-(2-methoxy-4-prop-1-enylphenoxy)-N-[2-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-yl]acetamide

C25H30N4O4 — CID 91941334

IUPAC2-(2-methoxy-4-prop-1-enylphenoxy)-N-[2-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-yl]acetamide
SMILESCC=Cc1ccc(OCC(=O)Nc2ccc3nc(CCN4CCOCC4)[nH]c3c2)c(OC)c1
InChIInChI=1S/C25H30N4O4/c1-3-4-18-5-8-22(23(15-18)31-2)33-17-25(30)26-19-6-7-20-21(16-19)28-24(27-20)9-10-29-11-13-32-14-12-29/h3-8,15-16H,9-14,17H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyANPDKAIMMKHMQU-UHFFFAOYSA-N
MW450.54 g/mol
LogP3.50
Rot. Bonds9

About 2-(2-methoxy-4-prop-1-enylphenoxy)-N-[2-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-yl]acetamide

2-(2-methoxy-4-prop-1-enylphenoxy)-N-[2-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-yl]acetamide (PubChem CID 91941334) has the molecular formula C25H30N4O4 and a molecular weight of 450.54 g/mol. Its IUPAC name is 2-(2-methoxy-4-prop-1-enylphenoxy)-N-[2-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(2-methoxy-4-prop-1-enylphenoxy)-N-[2-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-yl]acetamide
PubChem CID91941334
Molecular FormulaC25H30N4O4
Molecular Weight450.54 g/mol
Exact Mass450.23
IUPAC Name2-(2-methoxy-4-prop-1-enylphenoxy)-N-[2-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-yl]acetamide
SMILESCC=Cc1ccc(OCC(=O)Nc2ccc3nc(CCN4CCOCC4)[nH]c3c2)c(OC)c1
InChIInChI=1S/C25H30N4O4/c1-3-4-18-5-8-22(23(15-18)31-2)33-17-25(30)26-19-6-7-20-21(16-19)28-24(27-20)9-10-29-11-13-32-14-12-29/h3-8,15-16H,9-14,17H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyANPDKAIMMKHMQU-UHFFFAOYSA-N
XLogP3.50
TPSA88.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-hydroxy-4-methoxyphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 7478740
4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]morpholine
CID 58923296
N-(3-acetylphenyl)-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide
CID 4879965
N-(3,5-dimethoxyphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 7772741
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 18279710
N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 86868473
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 9314320
2-[4-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]phenyl]-2-methylpropanoic acid
CID 119253969
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 7695867
N-[2-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-yl]-1-oxo-2H-isoquinoline-4-carboxamide
CID 167966342
2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]acetamide
CID 9296003
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 60620296

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-prop-1-enylphenoxy)-N-[2-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-yl]acetamide?
The IUPAC name of 2-(2-methoxy-4-prop-1-enylphenoxy)-N-[2-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-yl]acetamide (CID 91941334) is 2-(2-methoxy-4-prop-1-enylphenoxy)-N-[2-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-yl]acetamide.
What is the SMILES notation for 2-(2-methoxy-4-prop-1-enylphenoxy)-N-[2-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-yl]acetamide?
The canonical SMILES for 2-(2-methoxy-4-prop-1-enylphenoxy)-N-[2-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-yl]acetamide is CC=Cc1ccc(OCC(=O)Nc2ccc3nc(CCN4CCOCC4)[nH]c3c2)c(OC)c1.
What is the InChIKey of 2-(2-methoxy-4-prop-1-enylphenoxy)-N-[2-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-yl]acetamide?
The InChIKey is ANPDKAIMMKHMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4/c1-3-4-18-5-8-22(23(15-18)31-2)33-17-25(30)26-19-6-7-20-21(16-19)28-24(27-20)9-10-29-11-13-32-14-12-29/h3-8,15-16H,9-14,17H2,1-2H3,(H,26,30)(H,27,28).
What are the key properties of 2-(2-methoxy-4-prop-1-enylphenoxy)-N-[2-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-yl]acetamide?
2-(2-methoxy-4-prop-1-enylphenoxy)-N-[2-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-yl]acetamide has a molecular weight of 450.54 g/mol, XLogP of 3.50, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-prop-1-enylphenoxy)-N-[2-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-yl]acetamide is sourced from PubChem (CID 91941334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).