[1-(N-methylanilino)-1-oxopropan-2-yl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate

C22H25N3O4 — CID 46645908

IUPAC[1-(N-methylanilino)-1-oxopropan-2-yl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate
SMILESCCCn1c(=O)n(CC(=O)OC(C)C(=O)N(C)c2ccccc2)c2ccccc21
InChIInChI=1S/C22H25N3O4/c1-4-14-24-18-12-8-9-13-19(18)25(22(24)28)15-20(26)29-16(2)21(27)23(3)17-10-6-5-7-11-17/h5-13,16H,4,14-15H2,1-3H3
InChIKeyKYFGRJHZRPWELR-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.81
Rot. Bonds7

About [1-(N-methylanilino)-1-oxopropan-2-yl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate

[1-(N-methylanilino)-1-oxopropan-2-yl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate (PubChem CID 46645908) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is [1-(N-methylanilino)-1-oxopropan-2-yl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate.

Molecular Properties

Compound Name[1-(N-methylanilino)-1-oxopropan-2-yl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate
PubChem CID46645908
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name[1-(N-methylanilino)-1-oxopropan-2-yl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate
SMILESCCCn1c(=O)n(CC(=O)OC(C)C(=O)N(C)c2ccccc2)c2ccccc21
InChIInChI=1S/C22H25N3O4/c1-4-14-24-18-12-8-9-13-19(18)25(22(24)28)15-20(26)29-16(2)21(27)23(3)17-10-6-5-7-11-17/h5-13,16H,4,14-15H2,1-3H3
InChIKeyKYFGRJHZRPWELR-UHFFFAOYSA-N
XLogP2.81
TPSA73.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(N-methylanilino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 47007927
[1-(N-methylanilino)-1-oxopropan-2-yl] 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetate
CID 46794422
[1-(N-methylanilino)-1-oxopropan-2-yl] 3-(4-oxocinnolin-1-yl)propanoate
CID 42921097
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7691269
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 2625448
1-(2-cyclopentyl-2-oxoethyl)-3-propylbenzimidazol-2-one
CID 104751301
N-(5-methylhexan-2-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 46515927
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 40609430
[1-oxo-1-(2-phenylethylamino)propan-2-yl] 2-(3-methyl-2-oxobenzimidazol-1-yl)acetate
CID 55506945
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-naphthalen-2-ylsulfanylacetate
CID 2541898
[1-(N-methylanilino)-1-oxopropan-2-yl] 1-methyl-6-oxopyridazine-3-carboxylate
CID 55734895
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate
CID 9326463

Frequently Asked Questions

What is the IUPAC name of [1-(N-methylanilino)-1-oxopropan-2-yl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate?
The IUPAC name of [1-(N-methylanilino)-1-oxopropan-2-yl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate (CID 46645908) is [1-(N-methylanilino)-1-oxopropan-2-yl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate.
What is the SMILES notation for [1-(N-methylanilino)-1-oxopropan-2-yl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate?
The canonical SMILES for [1-(N-methylanilino)-1-oxopropan-2-yl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate is CCCn1c(=O)n(CC(=O)OC(C)C(=O)N(C)c2ccccc2)c2ccccc21.
What is the InChIKey of [1-(N-methylanilino)-1-oxopropan-2-yl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate?
The InChIKey is KYFGRJHZRPWELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-4-14-24-18-12-8-9-13-19(18)25(22(24)28)15-20(26)29-16(2)21(27)23(3)17-10-6-5-7-11-17/h5-13,16H,4,14-15H2,1-3H3.
What are the key properties of [1-(N-methylanilino)-1-oxopropan-2-yl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate?
[1-(N-methylanilino)-1-oxopropan-2-yl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate has a molecular weight of 395.46 g/mol, XLogP of 2.81, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(N-methylanilino)-1-oxopropan-2-yl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate is sourced from PubChem (CID 46645908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).