N-ethyl-N-(oxolan-3-ylmethyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide

C20H29N3O3 — CID 55745103

IUPACN-ethyl-N-(oxolan-3-ylmethyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)N(CC)CC2CCOC2)c2ccccc21
InChIInChI=1S/C20H29N3O3/c1-3-11-22-17-7-5-6-8-18(17)23(20(22)25)12-9-19(24)21(4-2)14-16-10-13-26-15-16/h5-8,16H,3-4,9-15H2,1-2H3
InChIKeyNLFIPQKVYIOQIZ-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.49
Rot. Bonds8

About N-ethyl-N-(oxolan-3-ylmethyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide

N-ethyl-N-(oxolan-3-ylmethyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide (PubChem CID 55745103) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-ethyl-N-(oxolan-3-ylmethyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-ethyl-N-(oxolan-3-ylmethyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
PubChem CID55745103
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-ethyl-N-(oxolan-3-ylmethyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)N(CC)CC2CCOC2)c2ccccc21
InChIInChI=1S/C20H29N3O3/c1-3-11-22-17-7-5-6-8-18(17)23(20(22)25)12-9-19(24)21(4-2)14-16-10-13-26-15-16/h5-8,16H,3-4,9-15H2,1-2H3
InChIKeyNLFIPQKVYIOQIZ-UHFFFAOYSA-N
XLogP2.49
TPSA56.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 94175663
N-ethyl-2-(N-ethylanilino)-N-(oxolan-3-ylmethyl)acetamide
CID 51097037
3-amino-N-ethyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide
CID 60953285
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-ethyl-N-(oxolan-3-ylmethyl)butanamide
CID 55744687
N-ethyl-3-methyl-4-oxo-N-(oxolan-3-ylmethyl)phthalazine-1-carboxamide
CID 51082580
N-benzyl-N-ethyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 18134876
N-ethyl-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-[[(3R)-oxolan-3-yl]methyl]propanamide
CID 95287110
N-ethyl-2-oxo-N-[[(3S)-oxolan-3-yl]methyl]-6-phenyl-1H-pyridine-3-carboxamide
CID 95977130
3-(3-aminophenoxy)-N-ethyl-N-(oxolan-3-ylmethyl)propanamide
CID 61114635
N-ethyl-N-(oxolan-3-ylmethyl)-3-(propan-2-ylamino)propanamide
CID 54874267
N-ethyl-3-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 51082548
N-ethyl-3-methyl-N-[[(3S)-oxolan-3-yl]methyl]butanamide
CID 94186751

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(oxolan-3-ylmethyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The IUPAC name of N-ethyl-N-(oxolan-3-ylmethyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide (CID 55745103) is N-ethyl-N-(oxolan-3-ylmethyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-ethyl-N-(oxolan-3-ylmethyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The canonical SMILES for N-ethyl-N-(oxolan-3-ylmethyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide is CCCn1c(=O)n(CCC(=O)N(CC)CC2CCOC2)c2ccccc21.
What is the InChIKey of N-ethyl-N-(oxolan-3-ylmethyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The InChIKey is NLFIPQKVYIOQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-3-11-22-17-7-5-6-8-18(17)23(20(22)25)12-9-19(24)21(4-2)14-16-10-13-26-15-16/h5-8,16H,3-4,9-15H2,1-2H3.
What are the key properties of N-ethyl-N-(oxolan-3-ylmethyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
N-ethyl-N-(oxolan-3-ylmethyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide has a molecular weight of 359.47 g/mol, XLogP of 2.49, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(oxolan-3-ylmethyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide is sourced from PubChem (CID 55745103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).