N-(2-methylbutan-2-yl)-2-[4-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide

C18H36N4O2 — CID 30989737

IUPACN-(2-methylbutan-2-yl)-2-[4-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCCC(C)(C)NC(=O)CN1CCN(CC(=O)NC(C)(C)CC)CC1
InChIInChI=1S/C18H36N4O2/c1-7-17(3,4)19-15(23)13-21-9-11-22(12-10-21)14-16(24)20-18(5,6)8-2/h7-14H2,1-6H3,(H,19,23)(H,20,24)
InChIKeyLKSZPRQVDJZKNE-UHFFFAOYSA-N
MW340.51 g/mol
LogP1.21
Rot. Bonds8

About N-(2-methylbutan-2-yl)-2-[4-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide

N-(2-methylbutan-2-yl)-2-[4-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide (PubChem CID 30989737) has the molecular formula C18H36N4O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-[4-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-[4-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
PubChem CID30989737
Molecular FormulaC18H36N4O2
Molecular Weight340.51 g/mol
Exact Mass340.28
IUPAC NameN-(2-methylbutan-2-yl)-2-[4-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCCC(C)(C)NC(=O)CN1CCN(CC(=O)NC(C)(C)CC)CC1
InChIInChI=1S/C18H36N4O2/c1-7-17(3,4)19-15(23)13-21-9-11-22(12-10-21)14-16(24)20-18(5,6)8-2/h7-14H2,1-6H3,(H,19,23)(H,20,24)
InChIKeyLKSZPRQVDJZKNE-UHFFFAOYSA-N
XLogP1.21
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-methylbutan-2-yl)-2-[4-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide with MolForge

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Related Compounds

2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 63101713
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 55204264
2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 55201592
2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 79411155
2-(4-formylpiperidin-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 62655401
2-(1,4-diazepan-1-yl)-N-(2-methylbutan-2-yl)acetamide;hydrochloride
CID 119906765
methyl 1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 60672509
2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 63342087
2-(3-hydroxypyrrolidin-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 62918018
2-(4-hydroxy-4-methylazepan-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 107408042
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide;hydrochloride
CID 119928203
N-(2-methylbutan-2-yl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8596502

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-[4-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-[4-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide (CID 30989737) is N-(2-methylbutan-2-yl)-2-[4-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-[4-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-[4-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide is CCC(C)(C)NC(=O)CN1CCN(CC(=O)NC(C)(C)CC)CC1.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-[4-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide?
The InChIKey is LKSZPRQVDJZKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O2/c1-7-17(3,4)19-15(23)13-21-9-11-22(12-10-21)14-16(24)20-18(5,6)8-2/h7-14H2,1-6H3,(H,19,23)(H,20,24).
What are the key properties of N-(2-methylbutan-2-yl)-2-[4-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide?
N-(2-methylbutan-2-yl)-2-[4-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide has a molecular weight of 340.51 g/mol, XLogP of 1.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-[4-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 30989737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).