3-[acetyl(3-methylbutyl)amino]-N-(2-morpholin-4-ylphenyl)propanamide

C20H31N3O3 — CID 113122957

IUPAC3-[acetyl(3-methylbutyl)amino]-N-(2-morpholin-4-ylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1N1CCOCC1)CCC(C)C
InChIInChI=1S/C20H31N3O3/c1-16(2)8-10-22(17(3)24)11-9-20(25)21-18-6-4-5-7-19(18)23-12-14-26-15-13-23/h4-7,16H,8-15H2,1-3H3,(H,21,25)
InChIKeySCLCCMOVHHAGOQ-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.75
Rot. Bonds8

About 3-[acetyl(3-methylbutyl)amino]-N-(2-morpholin-4-ylphenyl)propanamide

3-[acetyl(3-methylbutyl)amino]-N-(2-morpholin-4-ylphenyl)propanamide (PubChem CID 113122957) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 3-[acetyl(3-methylbutyl)amino]-N-(2-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(3-methylbutyl)amino]-N-(2-morpholin-4-ylphenyl)propanamide
PubChem CID113122957
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name3-[acetyl(3-methylbutyl)amino]-N-(2-morpholin-4-ylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1N1CCOCC1)CCC(C)C
InChIInChI=1S/C20H31N3O3/c1-16(2)8-10-22(17(3)24)11-9-20(25)21-18-6-4-5-7-19(18)23-12-14-26-15-13-23/h4-7,16H,8-15H2,1-3H3,(H,21,25)
InChIKeySCLCCMOVHHAGOQ-UHFFFAOYSA-N
XLogP2.75
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[acetyl(propyl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 113158058
2-(3-methylbutylamino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 109005860
2-[acetyl(propan-2-yl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 113158255
3-(N-acetyl-2-fluoroanilino)-N-(2-morpholin-4-ylphenyl)propanamide
CID 113126781
2-[acetyl(pentyl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 113166804
N-(2-morpholin-4-ylphenyl)-3-oxobutanamide
CID 18071535
2-[acetyl(butan-2-yl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 113159164
2-[acetyl(cyclohexyl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 113159561
N-(2-morpholin-4-ylphenyl)-3-piperidin-1-ylpropanamide
CID 110688369
N',N'-diethyl-N-(2-morpholin-4-ylphenyl)propanediamide
CID 108951131
3-[acetyl(3-methylbutyl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113122902
N-(2-morpholin-4-ylphenyl)-2-(propan-2-ylcarbamoylamino)acetamide
CID 113000312

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(3-methylbutyl)amino]-N-(2-morpholin-4-ylphenyl)propanamide?
The IUPAC name of 3-[acetyl(3-methylbutyl)amino]-N-(2-morpholin-4-ylphenyl)propanamide (CID 113122957) is 3-[acetyl(3-methylbutyl)amino]-N-(2-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(3-methylbutyl)amino]-N-(2-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for 3-[acetyl(3-methylbutyl)amino]-N-(2-morpholin-4-ylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccccc1N1CCOCC1)CCC(C)C.
What is the InChIKey of 3-[acetyl(3-methylbutyl)amino]-N-(2-morpholin-4-ylphenyl)propanamide?
The InChIKey is SCLCCMOVHHAGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-16(2)8-10-22(17(3)24)11-9-20(25)21-18-6-4-5-7-19(18)23-12-14-26-15-13-23/h4-7,16H,8-15H2,1-3H3,(H,21,25).
What are the key properties of 3-[acetyl(3-methylbutyl)amino]-N-(2-morpholin-4-ylphenyl)propanamide?
3-[acetyl(3-methylbutyl)amino]-N-(2-morpholin-4-ylphenyl)propanamide has a molecular weight of 361.49 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(3-methylbutyl)amino]-N-(2-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 113122957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).