N-(2-adamantyl)-2-methyl-2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]propanamide

C26H39N3O — CID 59658233

IUPACN-(2-adamantyl)-2-methyl-2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]propanamide
SMILESCN1CCN(Cc2cccc(C(C)(C)C(=O)NC3C4CC5CC(C4)CC3C5)c2)CC1
InChIInChI=1S/C26H39N3O/c1-26(2,23-6-4-5-18(16-23)17-29-9-7-28(3)8-10-29)25(30)27-24-21-12-19-11-20(14-21)15-22(24)13-19/h4-6,16,19-22,24H,7-15,17H2,1-3H3,(H,27,30)
InChIKeyALZDVNZGIICDMM-UHFFFAOYSA-N
MW409.62 g/mol
LogP3.65
Rot. Bonds5

About N-(2-adamantyl)-2-methyl-2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]propanamide

N-(2-adamantyl)-2-methyl-2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]propanamide (PubChem CID 59658233) has the molecular formula C26H39N3O and a molecular weight of 409.62 g/mol. Its IUPAC name is N-(2-adamantyl)-2-methyl-2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]propanamide.

Molecular Properties

Compound NameN-(2-adamantyl)-2-methyl-2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]propanamide
PubChem CID59658233
Molecular FormulaC26H39N3O
Molecular Weight409.62 g/mol
Exact Mass409.31
IUPAC NameN-(2-adamantyl)-2-methyl-2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]propanamide
SMILESCN1CCN(Cc2cccc(C(C)(C)C(=O)NC3C4CC5CC(C4)CC3C5)c2)CC1
InChIInChI=1S/C26H39N3O/c1-26(2,23-6-4-5-18(16-23)17-29-9-7-28(3)8-10-29)25(30)27-24-21-12-19-11-20(14-21)15-22(24)13-19/h4-6,16,19-22,24H,7-15,17H2,1-3H3,(H,27,30)
InChIKeyALZDVNZGIICDMM-UHFFFAOYSA-N
XLogP3.65
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.62
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-methyl-2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]propanamide?
The IUPAC name of N-(2-adamantyl)-2-methyl-2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]propanamide (CID 59658233) is N-(2-adamantyl)-2-methyl-2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]propanamide.
What is the SMILES notation for N-(2-adamantyl)-2-methyl-2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]propanamide?
The canonical SMILES for N-(2-adamantyl)-2-methyl-2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]propanamide is CN1CCN(Cc2cccc(C(C)(C)C(=O)NC3C4CC5CC(C4)CC3C5)c2)CC1.
What is the InChIKey of N-(2-adamantyl)-2-methyl-2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]propanamide?
The InChIKey is ALZDVNZGIICDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N3O/c1-26(2,23-6-4-5-18(16-23)17-29-9-7-28(3)8-10-29)25(30)27-24-21-12-19-11-20(14-21)15-22(24)13-19/h4-6,16,19-22,24H,7-15,17H2,1-3H3,(H,27,30).
What are the key properties of N-(2-adamantyl)-2-methyl-2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]propanamide?
N-(2-adamantyl)-2-methyl-2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]propanamide has a molecular weight of 409.62 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-methyl-2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]propanamide is sourced from PubChem (CID 59658233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).