N-[1-[(4-tert-butylphenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)indol-5-yl]acetamide

C28H36N4O2 — CID 91635112

IUPACN-[1-[(4-tert-butylphenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)indol-5-yl]acetamide
SMILESCCN1CCN(C(=O)c2cc3cc(NC(C)=O)ccc3n2Cc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C28H36N4O2/c1-6-30-13-15-31(16-14-30)27(34)26-18-22-17-24(29-20(2)33)11-12-25(22)32(26)19-21-7-9-23(10-8-21)28(3,4)5/h7-12,17-18H,6,13-16,19H2,1-5H3,(H,29,33)
InChIKeySGTRBTXQFSWRIY-UHFFFAOYSA-N
MW460.62 g/mol
LogP4.72
Rot. Bonds5

About N-[1-[(4-tert-butylphenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)indol-5-yl]acetamide

N-[1-[(4-tert-butylphenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)indol-5-yl]acetamide (PubChem CID 91635112) has the molecular formula C28H36N4O2 and a molecular weight of 460.62 g/mol. Its IUPAC name is N-[1-[(4-tert-butylphenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)indol-5-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(4-tert-butylphenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)indol-5-yl]acetamide
PubChem CID91635112
Molecular FormulaC28H36N4O2
Molecular Weight460.62 g/mol
Exact Mass460.28
IUPAC NameN-[1-[(4-tert-butylphenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)indol-5-yl]acetamide
SMILESCCN1CCN(C(=O)c2cc3cc(NC(C)=O)ccc3n2Cc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C28H36N4O2/c1-6-30-13-15-31(16-14-30)27(34)26-18-22-17-24(29-20(2)33)11-12-25(22)32(26)19-21-7-9-23(10-8-21)28(3,4)5/h7-12,17-18H,6,13-16,19H2,1-5H3,(H,29,33)
InChIKeySGTRBTXQFSWRIY-UHFFFAOYSA-N
XLogP4.72
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.62
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(4-tert-butylphenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)indol-5-yl]cyclopropanecarboxamide
CID 91635115
N-[1-[(4-tert-butylphenyl)methyl]-2-(pyrrolidine-1-carbonyl)indol-5-yl]-2-methylpropanamide
CID 83279781
4-tert-butyl-N-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-methylphenyl)methyl]indol-5-yl]benzenesulfonamide
CID 83278214
N-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-fluorophenyl)methyl]indol-5-yl]propanamide
CID 83282151
(5-amino-1-benzylindol-2-yl)-(4-ethylpiperazin-1-yl)methanone
CID 42806101
N-[1-benzyl-2-(pyrrolidine-1-carbonyl)indol-5-yl]-4-tert-butylbenzenesulfonamide
CID 42808775
N-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-methylphenyl)methyl]indol-5-yl]cyclobutanecarboxamide
CID 83287207
N-[4-[[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]methyl]phenyl]acetamide
CID 3793854
[5-chloro-1-[(4-chlorophenyl)methyl]indol-2-yl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 155568608
4-tert-butyl-N-[1-(3-methylbutyl)-2-(pyrrolidine-1-carbonyl)indol-5-yl]benzamide
CID 83280162
N-(4-tert-butylphenyl)-4-ethylpiperazine-1-carboxamide
CID 108884847
1-[(4-tert-butylphenyl)methyl]-5-[[(E)-3-phenylprop-2-enoyl]amino]indole-2-carboxamide
CID 83272478

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-tert-butylphenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)indol-5-yl]acetamide?
The IUPAC name of N-[1-[(4-tert-butylphenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)indol-5-yl]acetamide (CID 91635112) is N-[1-[(4-tert-butylphenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)indol-5-yl]acetamide.
What is the SMILES notation for N-[1-[(4-tert-butylphenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)indol-5-yl]acetamide?
The canonical SMILES for N-[1-[(4-tert-butylphenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)indol-5-yl]acetamide is CCN1CCN(C(=O)c2cc3cc(NC(C)=O)ccc3n2Cc2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of N-[1-[(4-tert-butylphenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)indol-5-yl]acetamide?
The InChIKey is SGTRBTXQFSWRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O2/c1-6-30-13-15-31(16-14-30)27(34)26-18-22-17-24(29-20(2)33)11-12-25(22)32(26)19-21-7-9-23(10-8-21)28(3,4)5/h7-12,17-18H,6,13-16,19H2,1-5H3,(H,29,33).
What are the key properties of N-[1-[(4-tert-butylphenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)indol-5-yl]acetamide?
N-[1-[(4-tert-butylphenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)indol-5-yl]acetamide has a molecular weight of 460.62 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-tert-butylphenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)indol-5-yl]acetamide is sourced from PubChem (CID 91635112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).