N-(2-ethoxyphenyl)-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide

C20H29N5O2 — CID 90533896

IUPACN-(2-ethoxyphenyl)-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
SMILESCCOc1ccccc1NC(=O)CN1CCN(CCn2ccnc2C)CC1
InChIInChI=1S/C20H29N5O2/c1-3-27-19-7-5-4-6-18(19)22-20(26)16-24-12-10-23(11-13-24)14-15-25-9-8-21-17(25)2/h4-9H,3,10-16H2,1-2H3,(H,22,26)
InChIKeyVVFBHNSMILEXJM-UHFFFAOYSA-N
MW371.49 g/mol
LogP1.85
Rot. Bonds8

About N-(2-ethoxyphenyl)-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide

N-(2-ethoxyphenyl)-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide (PubChem CID 90533896) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
PubChem CID90533896
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC NameN-(2-ethoxyphenyl)-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
SMILESCCOc1ccccc1NC(=O)CN1CCN(CCn2ccnc2C)CC1
InChIInChI=1S/C20H29N5O2/c1-3-27-19-7-5-4-6-18(19)22-20(26)16-24-12-10-23(11-13-24)14-15-25-9-8-21-17(25)2/h4-9H,3,10-16H2,1-2H3,(H,22,26)
InChIKeyVVFBHNSMILEXJM-UHFFFAOYSA-N
XLogP1.85
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethoxyphenyl)-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
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N-(2-ethoxyphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
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N-(2-ethoxyphenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide
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N-ethyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 90533948
N-(2-ethoxyphenyl)-2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]acetamide
CID 136511842
N-(2-ethoxyphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
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N-benzyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 90533919
2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 90507372
N-(2-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide
CID 109017715
2-[4-[2-(2-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide (CID 90533896) is N-(2-ethoxyphenyl)-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide is CCOc1ccccc1NC(=O)CN1CCN(CCn2ccnc2C)CC1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide?
The InChIKey is VVFBHNSMILEXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-3-27-19-7-5-4-6-18(19)22-20(26)16-24-12-10-23(11-13-24)14-15-25-9-8-21-17(25)2/h4-9H,3,10-16H2,1-2H3,(H,22,26).
What are the key properties of N-(2-ethoxyphenyl)-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide?
N-(2-ethoxyphenyl)-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide has a molecular weight of 371.49 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 90533896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).