2-[[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide

C24H33N3O2 — CID 9038968

IUPAC2-[[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)CC(=O)Nc1ccccc1[C@H](C)CC
InChIInChI=1S/C24H33N3O2/c1-5-15-27(16-23(28)25-21-13-9-7-11-19(21)4)17-24(29)26-22-14-10-8-12-20(22)18(3)6-2/h7-14,18H,5-6,15-17H2,1-4H3,(H,25,28)(H,26,29)/t18-/m1/s1
InChIKeyYRTNPDNGRYLUGW-GOSISDBHSA-N
MW395.55 g/mol
LogP4.80
Rot. Bonds10

About 2-[[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide

2-[[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide (PubChem CID 9038968) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 2-[[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide
PubChem CID9038968
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name2-[[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)CC(=O)Nc1ccccc1[C@H](C)CC
InChIInChI=1S/C24H33N3O2/c1-5-15-27(16-23(28)25-21-13-9-7-11-19(21)4)17-24(29)26-22-14-10-8-12-20(22)18(3)6-2/h7-14,18H,5-6,15-17H2,1-4H3,(H,25,28)(H,26,29)/t18-/m1/s1
InChIKeyYRTNPDNGRYLUGW-GOSISDBHSA-N
XLogP4.80
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-phenylacetamide
CID 9038815
2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-prop-2-ynylacetamide
CID 8810170
N-(4-chlorophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 9038956
2-[2-hydroxyethyl(propyl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 60692713
2-[[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 78787950
2-(dibutylamino)-N-(2-methylphenyl)acetamide;hydrochloride
CID 3026049
2-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbutanamide
CID 112790013
2-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 27221599
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9222089
N-[2-(2-methylanilino)-2-oxoethyl]-2-[1-(2-methylphenyl)ethylamino]-N-propylacetamide
CID 112801015
N-(1-ethylpiperidin-4-yl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 78816923
2-[[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 8810194

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide (CID 9038968) is 2-[[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide is CCCN(CC(=O)Nc1ccccc1C)CC(=O)Nc1ccccc1[C@H](C)CC.
What is the InChIKey of 2-[[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide?
The InChIKey is YRTNPDNGRYLUGW-GOSISDBHSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-5-15-27(16-23(28)25-21-13-9-7-11-19(21)4)17-24(29)26-22-14-10-8-12-20(22)18(3)6-2/h7-14,18H,5-6,15-17H2,1-4H3,(H,25,28)(H,26,29)/t18-/m1/s1.
What are the key properties of 2-[[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide?
2-[[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide has a molecular weight of 395.55 g/mol, XLogP of 4.80, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 9038968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).