2-(5-acetyl-2-methoxyphenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide

C23H28N2O4 — CID 31446019

IUPAC2-(5-acetyl-2-methoxyphenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
SMILESCOc1ccc(C(C)=O)cc1CC(=O)NCc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C23H28N2O4/c1-17(26)20-7-8-22(28-2)21(13-20)14-23(27)24-15-18-3-5-19(6-4-18)16-25-9-11-29-12-10-25/h3-8,13H,9-12,14-16H2,1-2H3,(H,24,27)
InChIKeyXQKQUGGQXUFKAK-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.59
Rot. Bonds8

About 2-(5-acetyl-2-methoxyphenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide

2-(5-acetyl-2-methoxyphenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide (PubChem CID 31446019) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-(5-acetyl-2-methoxyphenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(5-acetyl-2-methoxyphenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
PubChem CID31446019
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name2-(5-acetyl-2-methoxyphenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
SMILESCOc1ccc(C(C)=O)cc1CC(=O)NCc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C23H28N2O4/c1-17(26)20-7-8-22(28-2)21(13-20)14-23(27)24-15-18-3-5-19(6-4-18)16-25-9-11-29-12-10-25/h3-8,13H,9-12,14-16H2,1-2H3,(H,24,27)
InChIKeyXQKQUGGQXUFKAK-UHFFFAOYSA-N
XLogP2.59
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-trimethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 27890450
2-(5-acetyl-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 30843339
2-(3,4-dimethoxyphenyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 55815087
N-[(4-acetamidophenyl)methyl]-2-(5-acetyl-2-methoxyphenyl)acetamide
CID 18154107
N-(3,4-dimethoxyphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 1099911
2-methoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 17437691
2-(5-acetyl-2-methoxyphenyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide
CID 18118896
3,4-dimethyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 17397484
2-(5-acetyl-2-methoxyphenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide
CID 18139669
N-(2,5-dimethoxyphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 1106324
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60602273
2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-2-oxoacetic acid
CID 117447646

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide (CID 31446019) is 2-(5-acetyl-2-methoxyphenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(5-acetyl-2-methoxyphenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(5-acetyl-2-methoxyphenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide is COc1ccc(C(C)=O)cc1CC(=O)NCc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 2-(5-acetyl-2-methoxyphenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is XQKQUGGQXUFKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-17(26)20-7-8-22(28-2)21(13-20)14-23(27)24-15-18-3-5-19(6-4-18)16-25-9-11-29-12-10-25/h3-8,13H,9-12,14-16H2,1-2H3,(H,24,27).
What are the key properties of 2-(5-acetyl-2-methoxyphenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
2-(5-acetyl-2-methoxyphenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 396.49 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-2-methoxyphenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 31446019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).