4-(4-ethylphenyl)-N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide

C30H35N3O — CID 54131278

IUPAC4-(4-ethylphenyl)-N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
SMILESCCc1ccc(-c2ccc(C(=O)N[C@@H]3CCc4cccc(N5CCN(C)CC5)c4C3)cc2)cc1
InChIInChI=1S/C30H35N3O/c1-3-22-7-9-23(10-8-22)24-11-13-26(14-12-24)30(34)31-27-16-15-25-5-4-6-29(28(25)21-27)33-19-17-32(2)18-20-33/h4-14,27H,3,15-21H2,1-2H3,(H,31,34)/t27-/m1/s1
InChIKeyNUNZZQXJJSVYFX-HHHXNRCGSA-N
MW453.63 g/mol
LogP4.96
Rot. Bonds5

About 4-(4-ethylphenyl)-N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide

4-(4-ethylphenyl)-N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide (PubChem CID 54131278) has the molecular formula C30H35N3O and a molecular weight of 453.63 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide.

Molecular Properties

Compound Name4-(4-ethylphenyl)-N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
PubChem CID54131278
Molecular FormulaC30H35N3O
Molecular Weight453.63 g/mol
Exact Mass453.28
IUPAC Name4-(4-ethylphenyl)-N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
SMILESCCc1ccc(-c2ccc(C(=O)N[C@@H]3CCc4cccc(N5CCN(C)CC5)c4C3)cc2)cc1
InChIInChI=1S/C30H35N3O/c1-3-22-7-9-23(10-8-22)24-11-13-26(14-12-24)30(34)31-27-16-15-25-5-4-6-29(28(25)21-27)33-19-17-32(2)18-20-33/h4-14,27H,3,15-21H2,1-2H3,(H,31,34)/t27-/m1/s1
InChIKeyNUNZZQXJJSVYFX-HHHXNRCGSA-N
XLogP4.96
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.63
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-ethylphenyl)-N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide with MolForge

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Related Compounds

4-(4-hydroxyphenyl)-N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 18475734
N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-pyrrol-1-ylbenzamide
CID 54551314
N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]butanamide
CID 54468521
[4-[[(2S)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoyl]phenyl] trifluoromethanesulfonate
CID 25055227
2-methyl-N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 54135218
2-methyl-N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 18475786
N-[8-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-morpholin-4-ylbenzamide
CID 18475701
N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-propan-2-yloxypyridine-3-carboxamide
CID 74422312
6-cyclopentyloxy-N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide
CID 74421931
4-ethyl-N-[1-[2-(4-methylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
CID 46156215
4-chloro-N-[5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 18622549
methyl 4-[7-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]piperazine-1-carboxylate
CID 54547751

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide?
The IUPAC name of 4-(4-ethylphenyl)-N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide (CID 54131278) is 4-(4-ethylphenyl)-N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide.
What is the SMILES notation for 4-(4-ethylphenyl)-N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide?
The canonical SMILES for 4-(4-ethylphenyl)-N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide is CCc1ccc(-c2ccc(C(=O)N[C@@H]3CCc4cccc(N5CCN(C)CC5)c4C3)cc2)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide?
The InChIKey is NUNZZQXJJSVYFX-HHHXNRCGSA-N. The full InChI is InChI=1S/C30H35N3O/c1-3-22-7-9-23(10-8-22)24-11-13-26(14-12-24)30(34)31-27-16-15-25-5-4-6-29(28(25)21-27)33-19-17-32(2)18-20-33/h4-14,27H,3,15-21H2,1-2H3,(H,31,34)/t27-/m1/s1.
What are the key properties of 4-(4-ethylphenyl)-N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide?
4-(4-ethylphenyl)-N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide has a molecular weight of 453.63 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide is sourced from PubChem (CID 54131278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).