(2R)-2-(6-methoxynaphthalen-2-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide

C26H31N3O2 — CID 39948414

IUPAC(2R)-2-(6-methoxynaphthalen-2-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide
SMILESCOc1ccc2cc([C@@H](C)C(=O)Nc3ccc(N4CCN(C)CC4)cc3C)ccc2c1
InChIInChI=1S/C26H31N3O2/c1-18-15-23(29-13-11-28(3)12-14-29)8-10-25(18)27-26(30)19(2)20-5-6-22-17-24(31-4)9-7-21(22)16-20/h5-10,15-17,19H,11-14H2,1-4H3,(H,27,30)/t19-/m1/s1
InChIKeySIQYGDSQNVPJJV-LJQANCHMSA-N
MW417.55 g/mol
LogP4.65
Rot. Bonds5

About (2R)-2-(6-methoxynaphthalen-2-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide

(2R)-2-(6-methoxynaphthalen-2-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide (PubChem CID 39948414) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is (2R)-2-(6-methoxynaphthalen-2-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(6-methoxynaphthalen-2-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide
PubChem CID39948414
Molecular FormulaC26H31N3O2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC Name(2R)-2-(6-methoxynaphthalen-2-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide
SMILESCOc1ccc2cc([C@@H](C)C(=O)Nc3ccc(N4CCN(C)CC4)cc3C)ccc2c1
InChIInChI=1S/C26H31N3O2/c1-18-15-23(29-13-11-28(3)12-14-29)8-10-25(18)27-26(30)19(2)20-5-6-22-17-24(31-4)9-7-21(22)16-20/h5-10,15-17,19H,11-14H2,1-4H3,(H,27,30)/t19-/m1/s1
InChIKeySIQYGDSQNVPJJV-LJQANCHMSA-N
XLogP4.65
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(6-methoxynaphthalen-2-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide?
The IUPAC name of (2R)-2-(6-methoxynaphthalen-2-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide (CID 39948414) is (2R)-2-(6-methoxynaphthalen-2-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-(6-methoxynaphthalen-2-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide?
The canonical SMILES for (2R)-2-(6-methoxynaphthalen-2-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide is COc1ccc2cc([C@@H](C)C(=O)Nc3ccc(N4CCN(C)CC4)cc3C)ccc2c1.
What is the InChIKey of (2R)-2-(6-methoxynaphthalen-2-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide?
The InChIKey is SIQYGDSQNVPJJV-LJQANCHMSA-N. The full InChI is InChI=1S/C26H31N3O2/c1-18-15-23(29-13-11-28(3)12-14-29)8-10-25(18)27-26(30)19(2)20-5-6-22-17-24(31-4)9-7-21(22)16-20/h5-10,15-17,19H,11-14H2,1-4H3,(H,27,30)/t19-/m1/s1.
What are the key properties of (2R)-2-(6-methoxynaphthalen-2-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide?
(2R)-2-(6-methoxynaphthalen-2-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide has a molecular weight of 417.55 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(6-methoxynaphthalen-2-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide is sourced from PubChem (CID 39948414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).