N-[1-(4-ethylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-phenylbutanamide

C21H33N3O2 — CID 42697418

IUPACN-[1-(4-ethylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-phenylbutanamide
SMILESCCC(C(=O)NC(C(=O)N1CCN(CC)CC1)C(C)C)c1ccccc1
InChIInChI=1S/C21H33N3O2/c1-5-18(17-10-8-7-9-11-17)20(25)22-19(16(3)4)21(26)24-14-12-23(6-2)13-15-24/h7-11,16,18-19H,5-6,12-15H2,1-4H3,(H,22,25)
InChIKeyAMRULWWVJGRJHR-UHFFFAOYSA-N
MW359.51 g/mol
LogP2.49
Rot. Bonds7

About N-[1-(4-ethylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-phenylbutanamide

N-[1-(4-ethylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-phenylbutanamide (PubChem CID 42697418) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is N-[1-(4-ethylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[1-(4-ethylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-phenylbutanamide
PubChem CID42697418
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC NameN-[1-(4-ethylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-phenylbutanamide
SMILESCCC(C(=O)NC(C(=O)N1CCN(CC)CC1)C(C)C)c1ccccc1
InChIInChI=1S/C21H33N3O2/c1-5-18(17-10-8-7-9-11-17)20(25)22-19(16(3)4)21(26)24-14-12-23(6-2)13-15-24/h7-11,16,18-19H,5-6,12-15H2,1-4H3,(H,22,25)
InChIKeyAMRULWWVJGRJHR-UHFFFAOYSA-N
XLogP2.49
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylpiperazin-1-yl)-2,2-diphenylethanone
CID 2303179
N-[(2R)-3-methyl-1-oxo-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]butan-2-yl]-2,2-diphenylacetamide
CID 97263096
[1-(4-benzylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamic acid
CID 22016527
1-[1-(4-benzhydrylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]-3-ethylurea
CID 42697437
ethyl N-[1-(4-benzhydrylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate
CID 55648114
2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)propanamide
CID 78787136
3-(2-phenylbutanoylamino)butanoic acid
CID 43240651
N-[(2R)-3-methyl-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-1-oxobutan-2-yl]acetamide
CID 8641727
2-[(3-amino-2-phenylpropanoyl)amino]-3-methylbutanamide
CID 106344661
1-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-2-phenylbutan-1-one
CID 43251729
(2S)-1-morpholin-4-yl-2-phenylbutan-1-one
CID 670056
1-(4-cyclopropylidenepiperidin-1-yl)-2-phenylbutan-1-one
CID 121186844

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-phenylbutanamide?
The IUPAC name of N-[1-(4-ethylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-phenylbutanamide (CID 42697418) is N-[1-(4-ethylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-phenylbutanamide.
What is the SMILES notation for N-[1-(4-ethylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-phenylbutanamide?
The canonical SMILES for N-[1-(4-ethylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-phenylbutanamide is CCC(C(=O)NC(C(=O)N1CCN(CC)CC1)C(C)C)c1ccccc1.
What is the InChIKey of N-[1-(4-ethylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-phenylbutanamide?
The InChIKey is AMRULWWVJGRJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-5-18(17-10-8-7-9-11-17)20(25)22-19(16(3)4)21(26)24-14-12-23(6-2)13-15-24/h7-11,16,18-19H,5-6,12-15H2,1-4H3,(H,22,25).
What are the key properties of N-[1-(4-ethylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-phenylbutanamide?
N-[1-(4-ethylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-phenylbutanamide has a molecular weight of 359.51 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-phenylbutanamide is sourced from PubChem (CID 42697418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).