N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide

C19H27N3O3 — CID 94175663

IUPACN-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
SMILESCCCn1c(=O)n(CC(=O)N(CC)C[C@@H]2CCOC2)c2ccccc21
InChIInChI=1S/C19H27N3O3/c1-3-10-21-16-7-5-6-8-17(16)22(19(21)24)13-18(23)20(4-2)12-15-9-11-25-14-15/h5-8,15H,3-4,9-14H2,1-2H3/t15-/m0/s1
InChIKeyPLUZRZVJVGFSCA-HNNXBMFYSA-N
MW345.44 g/mol
LogP2.10
Rot. Bonds7

About N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide

N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide (PubChem CID 94175663) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
PubChem CID94175663
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
SMILESCCCn1c(=O)n(CC(=O)N(CC)C[C@@H]2CCOC2)c2ccccc21
InChIInChI=1S/C19H27N3O3/c1-3-10-21-16-7-5-6-8-17(16)22(19(21)24)13-18(23)20(4-2)12-15-9-11-25-14-15/h5-8,15H,3-4,9-14H2,1-2H3/t15-/m0/s1
InChIKeyPLUZRZVJVGFSCA-HNNXBMFYSA-N
XLogP2.10
TPSA56.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide (CID 94175663) is N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide is CCCn1c(=O)n(CC(=O)N(CC)C[C@@H]2CCOC2)c2ccccc21.
What is the InChIKey of N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide?
The InChIKey is PLUZRZVJVGFSCA-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-3-10-21-16-7-5-6-8-17(16)22(19(21)24)13-18(23)20(4-2)12-15-9-11-25-14-15/h5-8,15H,3-4,9-14H2,1-2H3/t15-/m0/s1.
What are the key properties of N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide?
N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide has a molecular weight of 345.44 g/mol, XLogP of 2.10, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 94175663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).