4-acetamido-N-[(2,4-dimethoxyphenyl)methyl]-2-morpholin-4-ylbenzamide

C22H27N3O5 — CID 53146056

IUPAC4-acetamido-N-[(2,4-dimethoxyphenyl)methyl]-2-morpholin-4-ylbenzamide
SMILESCOc1ccc(CNC(=O)c2ccc(NC(C)=O)cc2N2CCOCC2)c(OC)c1
InChIInChI=1S/C22H27N3O5/c1-15(26)24-17-5-7-19(20(12-17)25-8-10-30-11-9-25)22(27)23-14-16-4-6-18(28-2)13-21(16)29-3/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyUQYYEGOYURMFHC-UHFFFAOYSA-N
MW413.47 g/mol
LogP2.43
Rot. Bonds7

About 4-acetamido-N-[(2,4-dimethoxyphenyl)methyl]-2-morpholin-4-ylbenzamide

4-acetamido-N-[(2,4-dimethoxyphenyl)methyl]-2-morpholin-4-ylbenzamide (PubChem CID 53146056) has the molecular formula C22H27N3O5 and a molecular weight of 413.47 g/mol. Its IUPAC name is 4-acetamido-N-[(2,4-dimethoxyphenyl)methyl]-2-morpholin-4-ylbenzamide.

Molecular Properties

Compound Name4-acetamido-N-[(2,4-dimethoxyphenyl)methyl]-2-morpholin-4-ylbenzamide
PubChem CID53146056
Molecular FormulaC22H27N3O5
Molecular Weight413.47 g/mol
Exact Mass413.20
IUPAC Name4-acetamido-N-[(2,4-dimethoxyphenyl)methyl]-2-morpholin-4-ylbenzamide
SMILESCOc1ccc(CNC(=O)c2ccc(NC(C)=O)cc2N2CCOCC2)c(OC)c1
InChIInChI=1S/C22H27N3O5/c1-15(26)24-17-5-7-19(20(12-17)25-8-10-30-11-9-25)22(27)23-14-16-4-6-18(28-2)13-21(16)29-3/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyUQYYEGOYURMFHC-UHFFFAOYSA-N
XLogP2.43
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-2-methylsulfanyl-4-morpholin-4-ylpyrimidine-5-carboxamide
CID 142592642
N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-morpholin-4-ylbenzamide
CID 131925589
N-(5-bromo-2-morpholin-4-ylphenyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 46813553
N-[(2,4-dimethoxyphenyl)methyl]-4-morpholin-4-ylaniline
CID 6492077
N-[(2,4-dimethoxyphenyl)methyl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53119281
4-acetamido-N-[(4-ethoxyphenyl)methyl]-2-piperidin-1-ylbenzamide
CID 53145952
2-[(2,4-dimethoxyphenyl)methylamino]-1-morpholin-4-ylethanone
CID 60976756
2-(azepan-1-yl)-4-(cyclopropanecarbonylamino)-N-[(4-methoxyphenyl)methyl]benzamide
CID 53146004
4-acetamido-N-[(2-morpholin-4-ylphenyl)methyl]benzamide
CID 47788856
2,4-dimethoxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 2996444
4-(6-acetamido-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]benzamide
CID 53159851
4-acetamido-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)benzamide
CID 53145955

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[(2,4-dimethoxyphenyl)methyl]-2-morpholin-4-ylbenzamide?
The IUPAC name of 4-acetamido-N-[(2,4-dimethoxyphenyl)methyl]-2-morpholin-4-ylbenzamide (CID 53146056) is 4-acetamido-N-[(2,4-dimethoxyphenyl)methyl]-2-morpholin-4-ylbenzamide.
What is the SMILES notation for 4-acetamido-N-[(2,4-dimethoxyphenyl)methyl]-2-morpholin-4-ylbenzamide?
The canonical SMILES for 4-acetamido-N-[(2,4-dimethoxyphenyl)methyl]-2-morpholin-4-ylbenzamide is COc1ccc(CNC(=O)c2ccc(NC(C)=O)cc2N2CCOCC2)c(OC)c1.
What is the InChIKey of 4-acetamido-N-[(2,4-dimethoxyphenyl)methyl]-2-morpholin-4-ylbenzamide?
The InChIKey is UQYYEGOYURMFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5/c1-15(26)24-17-5-7-19(20(12-17)25-8-10-30-11-9-25)22(27)23-14-16-4-6-18(28-2)13-21(16)29-3/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of 4-acetamido-N-[(2,4-dimethoxyphenyl)methyl]-2-morpholin-4-ylbenzamide?
4-acetamido-N-[(2,4-dimethoxyphenyl)methyl]-2-morpholin-4-ylbenzamide has a molecular weight of 413.47 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(2,4-dimethoxyphenyl)methyl]-2-morpholin-4-ylbenzamide is sourced from PubChem (CID 53146056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).