N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide

C21H25N3O3 — CID 21008938

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
SMILESCCOc1ccc(CCC(=O)NCCc2nc3ccccc3[nH]2)cc1OC
InChIInChI=1S/C21H25N3O3/c1-3-27-18-10-8-15(14-19(18)26-2)9-11-21(25)22-13-12-20-23-16-6-4-5-7-17(16)24-20/h4-8,10,14H,3,9,11-13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyJKFGTTVZYACYEA-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.26
Rot. Bonds9

About N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide (PubChem CID 21008938) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
PubChem CID21008938
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
SMILESCCOc1ccc(CCC(=O)NCCc2nc3ccccc3[nH]2)cc1OC
InChIInChI=1S/C21H25N3O3/c1-3-27-18-10-8-15(14-19(18)26-2)9-11-21(25)22-13-12-20-23-16-6-4-5-7-17(16)24-20/h4-8,10,14H,3,9,11-13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyJKFGTTVZYACYEA-UHFFFAOYSA-N
XLogP3.26
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-ethoxyphenyl)propanamide
CID 37218639
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 30358132
N-[3-(1H-benzimidazol-2-yl)propyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 30358126
3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 38001101
3-(4-ethoxy-3-methoxyphenyl)-N-ethylpropanamide
CID 58655084
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxyacetamide
CID 43229187
3-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 43229201
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxybenzamide
CID 2066664
N-[2-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 30209564
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 19167078
2-(1H-benzimidazol-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]ethanamine
CID 66526954

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide (CID 21008938) is N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide is CCOc1ccc(CCC(=O)NCCc2nc3ccccc3[nH]2)cc1OC.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide?
The InChIKey is JKFGTTVZYACYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-3-27-18-10-8-15(14-19(18)26-2)9-11-21(25)22-13-12-20-23-16-6-4-5-7-17(16)24-20/h4-8,10,14H,3,9,11-13H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide has a molecular weight of 367.45 g/mol, XLogP of 3.26, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide is sourced from PubChem (CID 21008938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).