2-[acetyl(butan-2-yl)amino]-N-(2-morpholin-4-ylphenyl)acetamide

C18H27N3O3 — CID 113159164

IUPAC2-[acetyl(butan-2-yl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCCC(C)N(CC(=O)Nc1ccccc1N1CCOCC1)C(C)=O
InChIInChI=1S/C18H27N3O3/c1-4-14(2)21(15(3)22)13-18(23)19-16-7-5-6-8-17(16)20-9-11-24-12-10-20/h5-8,14H,4,9-13H2,1-3H3,(H,19,23)
InChIKeyBSOOEYHNCVXOAU-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.11
Rot. Bonds6

About 2-[acetyl(butan-2-yl)amino]-N-(2-morpholin-4-ylphenyl)acetamide

2-[acetyl(butan-2-yl)amino]-N-(2-morpholin-4-ylphenyl)acetamide (PubChem CID 113159164) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-[acetyl(butan-2-yl)amino]-N-(2-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(butan-2-yl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
PubChem CID113159164
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name2-[acetyl(butan-2-yl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCCC(C)N(CC(=O)Nc1ccccc1N1CCOCC1)C(C)=O
InChIInChI=1S/C18H27N3O3/c1-4-14(2)21(15(3)22)13-18(23)19-16-7-5-6-8-17(16)20-9-11-24-12-10-20/h5-8,14H,4,9-13H2,1-3H3,(H,19,23)
InChIKeyBSOOEYHNCVXOAU-UHFFFAOYSA-N
XLogP2.11
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[acetyl(propan-2-yl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 113158255
2-[acetyl(propyl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 113158058
2-ethyl-N-(2-morpholin-4-ylphenyl)butanamide
CID 110756603
2-methyl-N-(2-morpholin-4-ylphenyl)propanamide
CID 2767049
2-[acetyl(pentyl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 113166804
N-(2-morpholin-4-ylphenyl)-3-oxobutanamide
CID 18071535
2-[acetyl(cyclohexyl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 113159561
2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 46573642
2-(N-acetyl-2,4,6-trimethylanilino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 113170062
3-(ethylamino)-N-(2-morpholin-4-ylphenyl)butanamide
CID 62839891
N',N'-diethyl-N-(2-morpholin-4-ylphenyl)propanediamide
CID 108951131
3-[acetyl(3-methylbutyl)amino]-N-(2-morpholin-4-ylphenyl)propanamide
CID 113122957

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(butan-2-yl)amino]-N-(2-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[acetyl(butan-2-yl)amino]-N-(2-morpholin-4-ylphenyl)acetamide (CID 113159164) is 2-[acetyl(butan-2-yl)amino]-N-(2-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl(butan-2-yl)amino]-N-(2-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[acetyl(butan-2-yl)amino]-N-(2-morpholin-4-ylphenyl)acetamide is CCC(C)N(CC(=O)Nc1ccccc1N1CCOCC1)C(C)=O.
What is the InChIKey of 2-[acetyl(butan-2-yl)amino]-N-(2-morpholin-4-ylphenyl)acetamide?
The InChIKey is BSOOEYHNCVXOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-4-14(2)21(15(3)22)13-18(23)19-16-7-5-6-8-17(16)20-9-11-24-12-10-20/h5-8,14H,4,9-13H2,1-3H3,(H,19,23).
What are the key properties of 2-[acetyl(butan-2-yl)amino]-N-(2-morpholin-4-ylphenyl)acetamide?
2-[acetyl(butan-2-yl)amino]-N-(2-morpholin-4-ylphenyl)acetamide has a molecular weight of 333.43 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(butan-2-yl)amino]-N-(2-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 113159164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).