2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide

C24H26N2O4 — CID 32863739

IUPAC2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide
SMILESCc1cc2occ(CC(=O)NCc3ccc(C(=O)N4CCOCC4)cc3)c2cc1C
InChIInChI=1S/C24H26N2O4/c1-16-11-21-20(15-30-22(21)12-17(16)2)13-23(27)25-14-18-3-5-19(6-4-18)24(28)26-7-9-29-10-8-26/h3-6,11-12,15H,7-10,13-14H2,1-2H3,(H,25,27)
InChIKeyYCTYEEPDPXKBHM-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.38
Rot. Bonds5

About 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide

2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide (PubChem CID 32863739) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide
PubChem CID32863739
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide
SMILESCc1cc2occ(CC(=O)NCc3ccc(C(=O)N4CCOCC4)cc3)c2cc1C
InChIInChI=1S/C24H26N2O4/c1-16-11-21-20(15-30-22(21)12-17(16)2)13-23(27)25-14-18-3-5-19(6-4-18)24(28)26-7-9-29-10-8-26/h3-6,11-12,15H,7-10,13-14H2,1-2H3,(H,25,27)
InChIKeyYCTYEEPDPXKBHM-UHFFFAOYSA-N
XLogP3.38
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylpiperazin-1-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide
CID 86918685
N-[(4-chlorophenyl)methyl]-4-(morpholine-4-carbonyl)benzamide
CID 109045422
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
CID 55735627
2-(3-methoxy-4-methylphenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]acetamide
CID 55709108
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 30505923
2-[benzyl(methyl)amino]-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide
CID 32726719
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-4-oxobutanamide
CID 32862262
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 18871958
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26521392
N-[2-(tert-butylamino)-2-oxoethyl]-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 34201561
3,4-dimethyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 17397484
4-cyano-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzamide
CID 30380859

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide (CID 32863739) is 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide is Cc1cc2occ(CC(=O)NCc3ccc(C(=O)N4CCOCC4)cc3)c2cc1C.
What is the InChIKey of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide?
The InChIKey is YCTYEEPDPXKBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-16-11-21-20(15-30-22(21)12-17(16)2)13-23(27)25-14-18-3-5-19(6-4-18)24(28)26-7-9-29-10-8-26/h3-6,11-12,15H,7-10,13-14H2,1-2H3,(H,25,27).
What are the key properties of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide?
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide has a molecular weight of 406.48 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide is sourced from PubChem (CID 32863739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).