N-(2,6-diethylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide

C19H31N3O2 — CID 110884148

IUPACN-(2,6-diethylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
SMILESCCc1cccc(CC)c1NC(=O)C(C)N1CCN(CCO)CC1
InChIInChI=1S/C19H31N3O2/c1-4-16-7-6-8-17(5-2)18(16)20-19(24)15(3)22-11-9-21(10-12-22)13-14-23/h6-8,15,23H,4-5,9-14H2,1-3H3,(H,20,24)
InChIKeyDLLSXNSSMMOXBC-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.75
Rot. Bonds7

About N-(2,6-diethylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide

N-(2,6-diethylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide (PubChem CID 110884148) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
PubChem CID110884148
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC NameN-(2,6-diethylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
SMILESCCc1cccc(CC)c1NC(=O)C(C)N1CCN(CCO)CC1
InChIInChI=1S/C19H31N3O2/c1-4-16-7-6-8-17(5-2)18(16)20-19(24)15(3)22-11-9-21(10-12-22)13-14-23/h6-8,15,23H,4-5,9-14H2,1-3H3,(H,20,24)
InChIKeyDLLSXNSSMMOXBC-UHFFFAOYSA-N
XLogP1.75
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide (CID 110884148) is N-(2,6-diethylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide is CCc1cccc(CC)c1NC(=O)C(C)N1CCN(CCO)CC1.
What is the InChIKey of N-(2,6-diethylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide?
The InChIKey is DLLSXNSSMMOXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-4-16-7-6-8-17(5-2)18(16)20-19(24)15(3)22-11-9-21(10-12-22)13-14-23/h6-8,15,23H,4-5,9-14H2,1-3H3,(H,20,24).
What are the key properties of N-(2,6-diethylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide?
N-(2,6-diethylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide has a molecular weight of 333.48 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 110884148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).