N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-4-methyl-4-phenylpentanamide

C22H37N3O — CID 110353519

IUPACN-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-4-methyl-4-phenylpentanamide
SMILESCCN1CCN(C(C)(C)CNC(=O)CCC(C)(C)c2ccccc2)CC1
InChIInChI=1S/C22H37N3O/c1-6-24-14-16-25(17-15-24)22(4,5)18-23-20(26)12-13-21(2,3)19-10-8-7-9-11-19/h7-11H,6,12-18H2,1-5H3,(H,23,26)
InChIKeyJDJGXAGGIQEXMA-UHFFFAOYSA-N
MW359.56 g/mol
LogP3.28
Rot. Bonds8

About N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-4-methyl-4-phenylpentanamide

N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-4-methyl-4-phenylpentanamide (PubChem CID 110353519) has the molecular formula C22H37N3O and a molecular weight of 359.56 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-4-methyl-4-phenylpentanamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-4-methyl-4-phenylpentanamide
PubChem CID110353519
Molecular FormulaC22H37N3O
Molecular Weight359.56 g/mol
Exact Mass359.29
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-4-methyl-4-phenylpentanamide
SMILESCCN1CCN(C(C)(C)CNC(=O)CCC(C)(C)c2ccccc2)CC1
InChIInChI=1S/C22H37N3O/c1-6-24-14-16-25(17-15-24)22(4,5)18-23-20(26)12-13-21(2,3)19-10-8-7-9-11-19/h7-11H,6,12-18H2,1-5H3,(H,23,26)
InChIKeyJDJGXAGGIQEXMA-UHFFFAOYSA-N
XLogP3.28
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.56
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-phenylpropanamide
CID 112504915
3-(3-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]propanamide
CID 110414094
benzyl N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]carbamate
CID 112504938
N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110622654
2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]acetamide
CID 112504917
ethyl 4-(3-methyl-3-phenylbutyl)piperazine-1-carboxylate
CID 14649429
4-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-4-phenylpentanamide
CID 110353950
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]acetamide
CID 110622638
N-(2-anilino-2-oxoethyl)-4-methyl-4-phenylpentanamide
CID 110353745
N-[2-(diethylamino)propyl]-4-methyl-4-phenylpentanamide
CID 110353171
N-(3-hydroxybutyl)-4-methyl-4-phenylpentanamide
CID 109379708
1-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 110622652

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-4-methyl-4-phenylpentanamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-4-methyl-4-phenylpentanamide (CID 110353519) is N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-4-methyl-4-phenylpentanamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-4-methyl-4-phenylpentanamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-4-methyl-4-phenylpentanamide is CCN1CCN(C(C)(C)CNC(=O)CCC(C)(C)c2ccccc2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-4-methyl-4-phenylpentanamide?
The InChIKey is JDJGXAGGIQEXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O/c1-6-24-14-16-25(17-15-24)22(4,5)18-23-20(26)12-13-21(2,3)19-10-8-7-9-11-19/h7-11H,6,12-18H2,1-5H3,(H,23,26).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-4-methyl-4-phenylpentanamide?
N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-4-methyl-4-phenylpentanamide has a molecular weight of 359.56 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-4-methyl-4-phenylpentanamide is sourced from PubChem (CID 110353519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).