N-(2-ethoxyphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide

C19H27N3O4 — CID 6468137

IUPACN-(2-ethoxyphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
SMILESCCOc1ccccc1NC(=O)CN1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C19H27N3O4/c1-2-25-16-7-4-3-6-15(16)20-18(23)14-21-9-11-22(12-10-21)19(24)17-8-5-13-26-17/h3-4,6-7,17H,2,5,8-14H2,1H3,(H,20,23)
InChIKeyQGCIGCCDAKSORF-UHFFFAOYSA-N
MW361.44 g/mol
LogP1.35
Rot. Bonds6

About N-(2-ethoxyphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide

N-(2-ethoxyphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide (PubChem CID 6468137) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
PubChem CID6468137
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC NameN-(2-ethoxyphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
SMILESCCOc1ccccc1NC(=O)CN1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C19H27N3O4/c1-2-25-16-7-4-3-6-15(16)20-18(23)14-21-9-11-22(12-10-21)19(24)17-8-5-13-26-17/h3-4,6-7,17H,2,5,8-14H2,1H3,(H,20,23)
InChIKeyQGCIGCCDAKSORF-UHFFFAOYSA-N
XLogP1.35
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide (CID 6468137) is N-(2-ethoxyphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide is CCOc1ccccc1NC(=O)CN1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is QGCIGCCDAKSORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-2-25-16-7-4-3-6-15(16)20-18(23)14-21-9-11-22(12-10-21)19(24)17-8-5-13-26-17/h3-4,6-7,17H,2,5,8-14H2,1H3,(H,20,23).
What are the key properties of N-(2-ethoxyphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide?
N-(2-ethoxyphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 361.44 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 6468137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).