N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide

C19H29N3O2 — CID 113170254

IUPACN-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCC(=O)N(CC(=O)N1CCN(C)CC1)c1c(C)cccc1C(C)C
InChIInChI=1S/C19H29N3O2/c1-14(2)17-8-6-7-15(3)19(17)22(16(4)23)13-18(24)21-11-9-20(5)10-12-21/h6-8,14H,9-13H2,1-5H3
InChIKeyCZKHHNPFSUHEOU-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.25
Rot. Bonds4

About N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide

N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide (PubChem CID 113170254) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
PubChem CID113170254
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCC(=O)N(CC(=O)N1CCN(C)CC1)c1c(C)cccc1C(C)C
InChIInChI=1S/C19H29N3O2/c1-14(2)17-8-6-7-15(3)19(17)22(16(4)23)13-18(24)21-11-9-20(5)10-12-21/h6-8,14H,9-13H2,1-5H3
InChIKeyCZKHHNPFSUHEOU-UHFFFAOYSA-N
XLogP2.25
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 3676
Monoethylglycinexylidide
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Mepivacaine Hydrochloride
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Nefiracetam
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Levobupivacaine
CID 92253
Mepivacaine
CID 4062
Ropivacaine
CID 175805
Lidocaine Hydrochloride
CID 6314
Bupivacaine Hydrochloride
CID 64737
Lidoflazine
CID 3926
Etidocaine
CID 37497
Ropivacaine Hydrochloride
CID 175804

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide (CID 113170254) is N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide is CC(=O)N(CC(=O)N1CCN(C)CC1)c1c(C)cccc1C(C)C.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The InChIKey is CZKHHNPFSUHEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-14(2)17-8-6-7-15(3)19(17)22(16(4)23)13-18(24)21-11-9-20(5)10-12-21/h6-8,14H,9-13H2,1-5H3.
What are the key properties of N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide has a molecular weight of 331.46 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 113170254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).