N-(2,2-diethyl-3-methoxycyclobutyl)-3-(4-propan-2-ylpiperazin-1-yl)propanamide

C19H37N3O2 — CID 126839388

IUPACN-(2,2-diethyl-3-methoxycyclobutyl)-3-(4-propan-2-ylpiperazin-1-yl)propanamide
SMILESCCC1(CC)C(NC(=O)CCN2CCN(C(C)C)CC2)CC1OC
InChIInChI=1S/C19H37N3O2/c1-6-19(7-2)16(14-17(19)24-5)20-18(23)8-9-21-10-12-22(13-11-21)15(3)4/h15-17H,6-14H2,1-5H3,(H,20,23)
InChIKeyMZIBKAHNKNPKOM-UHFFFAOYSA-N
MW339.52 g/mol
LogP2.11
Rot. Bonds8

About N-(2,2-diethyl-3-methoxycyclobutyl)-3-(4-propan-2-ylpiperazin-1-yl)propanamide

N-(2,2-diethyl-3-methoxycyclobutyl)-3-(4-propan-2-ylpiperazin-1-yl)propanamide (PubChem CID 126839388) has the molecular formula C19H37N3O2 and a molecular weight of 339.52 g/mol. Its IUPAC name is N-(2,2-diethyl-3-methoxycyclobutyl)-3-(4-propan-2-ylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2,2-diethyl-3-methoxycyclobutyl)-3-(4-propan-2-ylpiperazin-1-yl)propanamide
PubChem CID126839388
Molecular FormulaC19H37N3O2
Molecular Weight339.52 g/mol
Exact Mass339.29
IUPAC NameN-(2,2-diethyl-3-methoxycyclobutyl)-3-(4-propan-2-ylpiperazin-1-yl)propanamide
SMILESCCC1(CC)C(NC(=O)CCN2CCN(C(C)C)CC2)CC1OC
InChIInChI=1S/C19H37N3O2/c1-6-19(7-2)16(14-17(19)24-5)20-18(23)8-9-21-10-12-22(13-11-21)15(3)4/h15-17H,6-14H2,1-5H3,(H,20,23)
InChIKeyMZIBKAHNKNPKOM-UHFFFAOYSA-N
XLogP2.11
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyl-3-methoxycyclobutyl)-3-(4-propan-2-ylpiperazin-1-yl)propanamide?
The IUPAC name of N-(2,2-diethyl-3-methoxycyclobutyl)-3-(4-propan-2-ylpiperazin-1-yl)propanamide (CID 126839388) is N-(2,2-diethyl-3-methoxycyclobutyl)-3-(4-propan-2-ylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(2,2-diethyl-3-methoxycyclobutyl)-3-(4-propan-2-ylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(2,2-diethyl-3-methoxycyclobutyl)-3-(4-propan-2-ylpiperazin-1-yl)propanamide is CCC1(CC)C(NC(=O)CCN2CCN(C(C)C)CC2)CC1OC.
What is the InChIKey of N-(2,2-diethyl-3-methoxycyclobutyl)-3-(4-propan-2-ylpiperazin-1-yl)propanamide?
The InChIKey is MZIBKAHNKNPKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O2/c1-6-19(7-2)16(14-17(19)24-5)20-18(23)8-9-21-10-12-22(13-11-21)15(3)4/h15-17H,6-14H2,1-5H3,(H,20,23).
What are the key properties of N-(2,2-diethyl-3-methoxycyclobutyl)-3-(4-propan-2-ylpiperazin-1-yl)propanamide?
N-(2,2-diethyl-3-methoxycyclobutyl)-3-(4-propan-2-ylpiperazin-1-yl)propanamide has a molecular weight of 339.52 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyl-3-methoxycyclobutyl)-3-(4-propan-2-ylpiperazin-1-yl)propanamide is sourced from PubChem (CID 126839388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).