3-acetamido-N-benzyl-3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide

C26H35N3O3 — CID 56501104

IUPAC3-acetamido-N-benzyl-3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide
SMILESCC(=O)NC(CC(=O)N(Cc1ccccc1)C(C)CN1CCOCC1)c1ccc(C)cc1
InChIInChI=1S/C26H35N3O3/c1-20-9-11-24(12-10-20)25(27-22(3)30)17-26(31)29(19-23-7-5-4-6-8-23)21(2)18-28-13-15-32-16-14-28/h4-12,21,25H,13-19H2,1-3H3,(H,27,30)
InChIKeyCUHFYMNZJFFALX-UHFFFAOYSA-N
MW437.58 g/mol
LogP3.31
Rot. Bonds9

About 3-acetamido-N-benzyl-3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide

3-acetamido-N-benzyl-3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide (PubChem CID 56501104) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is 3-acetamido-N-benzyl-3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-benzyl-3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide
PubChem CID56501104
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC Name3-acetamido-N-benzyl-3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide
SMILESCC(=O)NC(CC(=O)N(Cc1ccccc1)C(C)CN1CCOCC1)c1ccc(C)cc1
InChIInChI=1S/C26H35N3O3/c1-20-9-11-24(12-10-20)25(27-22(3)30)17-26(31)29(19-23-7-5-4-6-8-23)21(2)18-28-13-15-32-16-14-28/h4-12,21,25H,13-19H2,1-3H3,(H,27,30)
InChIKeyCUHFYMNZJFFALX-UHFFFAOYSA-N
XLogP3.31
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-benzyl-N-butan-2-yl-3-(4-methylphenyl)propanamide
CID 43039918
N-benzyl-4-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)butanamide
CID 119877069
N-benzyl-3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide
CID 56502325
2-(4-aminophenyl)-N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)acetamide;dihydrochloride
CID 119877064
2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(1-phenylethyl)acetamide
CID 56542719
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-phenoxypropanamide
CID 56500998
N-benzyl-2-(4-ethoxyphenyl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide
CID 56500857
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 56500713
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-(4-sulfamoylphenyl)acetamide
CID 56581067
2-[4-[2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-2-oxoethoxy]phenyl]acetamide
CID 56500698
2-amino-N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)pentanamide
CID 119877071
N-benzyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide
CID 56500451

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-benzyl-3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide?
The IUPAC name of 3-acetamido-N-benzyl-3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide (CID 56501104) is 3-acetamido-N-benzyl-3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide.
What is the SMILES notation for 3-acetamido-N-benzyl-3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide?
The canonical SMILES for 3-acetamido-N-benzyl-3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide is CC(=O)NC(CC(=O)N(Cc1ccccc1)C(C)CN1CCOCC1)c1ccc(C)cc1.
What is the InChIKey of 3-acetamido-N-benzyl-3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide?
The InChIKey is CUHFYMNZJFFALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3/c1-20-9-11-24(12-10-20)25(27-22(3)30)17-26(31)29(19-23-7-5-4-6-8-23)21(2)18-28-13-15-32-16-14-28/h4-12,21,25H,13-19H2,1-3H3,(H,27,30).
What are the key properties of 3-acetamido-N-benzyl-3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide?
3-acetamido-N-benzyl-3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide has a molecular weight of 437.58 g/mol, XLogP of 3.31, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-benzyl-3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide is sourced from PubChem (CID 56501104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).