2-[4-[(1H-benzimidazol-2-ylmethylamino)methyl]-2-ethoxyphenoxy]-N-tert-butylacetamide

C23H30N4O3 — CID 66526694

IUPAC2-[4-[(1H-benzimidazol-2-ylmethylamino)methyl]-2-ethoxyphenoxy]-N-tert-butylacetamide
SMILESCCOc1cc(CNCc2nc3ccccc3[nH]2)ccc1OCC(=O)NC(C)(C)C
InChIInChI=1S/C23H30N4O3/c1-5-29-20-12-16(10-11-19(20)30-15-22(28)27-23(2,3)4)13-24-14-21-25-17-8-6-7-9-18(17)26-21/h6-12,24H,5,13-15H2,1-4H3,(H,25,26)(H,27,28)
InChIKeyFOWPNBFWSCQHMP-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.54
Rot. Bonds9

About 2-[4-[(1H-benzimidazol-2-ylmethylamino)methyl]-2-ethoxyphenoxy]-N-tert-butylacetamide

2-[4-[(1H-benzimidazol-2-ylmethylamino)methyl]-2-ethoxyphenoxy]-N-tert-butylacetamide (PubChem CID 66526694) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-[4-[(1H-benzimidazol-2-ylmethylamino)methyl]-2-ethoxyphenoxy]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[4-[(1H-benzimidazol-2-ylmethylamino)methyl]-2-ethoxyphenoxy]-N-tert-butylacetamide
PubChem CID66526694
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name2-[4-[(1H-benzimidazol-2-ylmethylamino)methyl]-2-ethoxyphenoxy]-N-tert-butylacetamide
SMILESCCOc1cc(CNCc2nc3ccccc3[nH]2)ccc1OCC(=O)NC(C)(C)C
InChIInChI=1S/C23H30N4O3/c1-5-29-20-12-16(10-11-19(20)30-15-22(28)27-23(2,3)4)13-24-14-21-25-17-8-6-7-9-18(17)26-21/h6-12,24H,5,13-15H2,1-4H3,(H,25,26)(H,27,28)
InChIKeyFOWPNBFWSCQHMP-UHFFFAOYSA-N
XLogP3.54
TPSA88.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-2-[2-ethoxy-4-[(pyridin-4-ylmethylamino)methyl]phenoxy]acetamide;dihydrochloride
CID 163328812
N-tert-butyl-2-[2-ethoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17290931
N-(1H-benzimidazol-2-ylmethyl)-1-[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methanamine
CID 9113063
N-tert-butyl-2-[2-ethoxy-4-[(2-methylpropylamino)methyl]phenoxy]acetamide
CID 4717022
N-(1H-benzimidazol-2-ylmethyl)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methanamine
CID 66526653
N-tert-butyl-2-[2-ethoxy-4-[(furan-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17331695
N-tert-butyl-2-[4-[[2-(dimethylamino)ethylamino]methyl]-2-ethoxyphenoxy]acetamide
CID 4721024
2-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-ethoxyphenoxy]-N-tert-butylacetamide;hydrochloride
CID 17324429
N-tert-butyl-2-[2-ethoxy-4-[[2-(2-fluorophenyl)ethylamino]methyl]phenoxy]acetamide;hydrochloride
CID 17293185
N-tert-butyl-2-[2-ethoxy-4-[[3-(2-hydroxyethylamino)propylamino]methyl]phenoxy]acetamide;dihydrochloride
CID 17214182
N-tert-butyl-2-[2-ethoxy-4-[(2,4,4-trimethylpentan-2-ylamino)methyl]phenoxy]acetamide
CID 4722934
N-tert-butyl-2-[4-[[3-(diethylamino)propylamino]methyl]-2-ethoxyphenoxy]acetamide;dihydrochloride
CID 17215098

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1H-benzimidazol-2-ylmethylamino)methyl]-2-ethoxyphenoxy]-N-tert-butylacetamide?
The IUPAC name of 2-[4-[(1H-benzimidazol-2-ylmethylamino)methyl]-2-ethoxyphenoxy]-N-tert-butylacetamide (CID 66526694) is 2-[4-[(1H-benzimidazol-2-ylmethylamino)methyl]-2-ethoxyphenoxy]-N-tert-butylacetamide.
What is the SMILES notation for 2-[4-[(1H-benzimidazol-2-ylmethylamino)methyl]-2-ethoxyphenoxy]-N-tert-butylacetamide?
The canonical SMILES for 2-[4-[(1H-benzimidazol-2-ylmethylamino)methyl]-2-ethoxyphenoxy]-N-tert-butylacetamide is CCOc1cc(CNCc2nc3ccccc3[nH]2)ccc1OCC(=O)NC(C)(C)C.
What is the InChIKey of 2-[4-[(1H-benzimidazol-2-ylmethylamino)methyl]-2-ethoxyphenoxy]-N-tert-butylacetamide?
The InChIKey is FOWPNBFWSCQHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-5-29-20-12-16(10-11-19(20)30-15-22(28)27-23(2,3)4)13-24-14-21-25-17-8-6-7-9-18(17)26-21/h6-12,24H,5,13-15H2,1-4H3,(H,25,26)(H,27,28).
What are the key properties of 2-[4-[(1H-benzimidazol-2-ylmethylamino)methyl]-2-ethoxyphenoxy]-N-tert-butylacetamide?
2-[4-[(1H-benzimidazol-2-ylmethylamino)methyl]-2-ethoxyphenoxy]-N-tert-butylacetamide has a molecular weight of 410.52 g/mol, XLogP of 3.54, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1H-benzimidazol-2-ylmethylamino)methyl]-2-ethoxyphenoxy]-N-tert-butylacetamide is sourced from PubChem (CID 66526694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).