N-[2-(3,5-dimethylphenoxy)ethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylpropanamide

C23H29N3O3 — CID 18280557

IUPACN-[2-(3,5-dimethylphenoxy)ethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylpropanamide
SMILESCCn1c(=O)n(CCC(=O)N(C)CCOc2cc(C)cc(C)c2)c2ccccc21
InChIInChI=1S/C23H29N3O3/c1-5-25-20-8-6-7-9-21(20)26(23(25)28)11-10-22(27)24(4)12-13-29-19-15-17(2)14-18(3)16-19/h6-9,14-16H,5,10-13H2,1-4H3
InChIKeyLTJPUWYFJVNFPO-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.37
Rot. Bonds8

About N-[2-(3,5-dimethylphenoxy)ethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylpropanamide

N-[2-(3,5-dimethylphenoxy)ethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylpropanamide (PubChem CID 18280557) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenoxy)ethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenoxy)ethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylpropanamide
PubChem CID18280557
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[2-(3,5-dimethylphenoxy)ethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylpropanamide
SMILESCCn1c(=O)n(CCC(=O)N(C)CCOc2cc(C)cc(C)c2)c2ccccc21
InChIInChI=1S/C23H29N3O3/c1-5-25-20-8-6-7-9-21(20)26(23(25)28)11-10-22(27)24(4)12-13-29-19-15-17(2)14-18(3)16-19/h6-9,14-16H,5,10-13H2,1-4H3
InChIKeyLTJPUWYFJVNFPO-UHFFFAOYSA-N
XLogP3.37
TPSA56.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 18136969
2-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylacetamide
CID 54869826
N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 60676013
N-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 134008720
N-[2-(3,5-dimethylphenoxy)ethyl]-3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-methylpropanamide
CID 31643688
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 18157368
5-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N,4-dimethylpentanamide
CID 82013924
N-[2-(4-bromophenoxy)ethyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide
CID 24546255
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137288392
3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide;hydrochloride
CID 119274543
3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 54875471
N-[2-(3,5-dimethylphenoxy)ethyl]-2-(2-formylphenoxy)-N-methylacetamide
CID 134044878

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylpropanamide?
The IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylpropanamide (CID 18280557) is N-[2-(3,5-dimethylphenoxy)ethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylpropanamide.
What is the SMILES notation for N-[2-(3,5-dimethylphenoxy)ethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylpropanamide?
The canonical SMILES for N-[2-(3,5-dimethylphenoxy)ethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylpropanamide is CCn1c(=O)n(CCC(=O)N(C)CCOc2cc(C)cc(C)c2)c2ccccc21.
What is the InChIKey of N-[2-(3,5-dimethylphenoxy)ethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylpropanamide?
The InChIKey is LTJPUWYFJVNFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-5-25-20-8-6-7-9-21(20)26(23(25)28)11-10-22(27)24(4)12-13-29-19-15-17(2)14-18(3)16-19/h6-9,14-16H,5,10-13H2,1-4H3.
What are the key properties of N-[2-(3,5-dimethylphenoxy)ethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylpropanamide?
N-[2-(3,5-dimethylphenoxy)ethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylpropanamide has a molecular weight of 395.50 g/mol, XLogP of 3.37, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenoxy)ethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylpropanamide is sourced from PubChem (CID 18280557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).