N-[4-[4-[4-(2-ethoxyethoxymethyl)-2-methoxyphenyl]piperazin-1-yl]butyl]benzamide

C27H39N3O4 — CID 57400562

IUPACN-[4-[4-[4-(2-ethoxyethoxymethyl)-2-methoxyphenyl]piperazin-1-yl]butyl]benzamide
SMILESCCOCCOCc1ccc(N2CCN(CCCCNC(=O)c3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C27H39N3O4/c1-3-33-19-20-34-22-23-11-12-25(26(21-23)32-2)30-17-15-29(16-18-30)14-8-7-13-28-27(31)24-9-5-4-6-10-24/h4-6,9-12,21H,3,7-8,13-20,22H2,1-2H3,(H,28,31)
InChIKeyCYHIQHDBFGBIFJ-UHFFFAOYSA-N
MW469.63 g/mol
LogP3.58
Rot. Bonds14

About N-[4-[4-[4-(2-ethoxyethoxymethyl)-2-methoxyphenyl]piperazin-1-yl]butyl]benzamide

N-[4-[4-[4-(2-ethoxyethoxymethyl)-2-methoxyphenyl]piperazin-1-yl]butyl]benzamide (PubChem CID 57400562) has the molecular formula C27H39N3O4 and a molecular weight of 469.63 g/mol. Its IUPAC name is N-[4-[4-[4-(2-ethoxyethoxymethyl)-2-methoxyphenyl]piperazin-1-yl]butyl]benzamide.

Molecular Properties

Compound NameN-[4-[4-[4-(2-ethoxyethoxymethyl)-2-methoxyphenyl]piperazin-1-yl]butyl]benzamide
PubChem CID57400562
Molecular FormulaC27H39N3O4
Molecular Weight469.63 g/mol
Exact Mass469.29
IUPAC NameN-[4-[4-[4-(2-ethoxyethoxymethyl)-2-methoxyphenyl]piperazin-1-yl]butyl]benzamide
SMILESCCOCCOCc1ccc(N2CCN(CCCCNC(=O)c3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C27H39N3O4/c1-3-33-19-20-34-22-23-11-12-25(26(21-23)32-2)30-17-15-29(16-18-30)14-8-7-13-28-27(31)24-9-5-4-6-10-24/h4-6,9-12,21H,3,7-8,13-20,22H2,1-2H3,(H,28,31)
InChIKeyCYHIQHDBFGBIFJ-UHFFFAOYSA-N
XLogP3.58
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.63
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

GR-103691
CID 4302960
Methyl 3-[(3-methoxybenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate
CID 6457069
N-{2-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-piperazin-1-yl]-ethyl}-4-fluoro-benzamide
CID 10430183
2-{3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino}-N,N-dimethylbenzamide
CID 10572854
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-phenylbenzamide
CID 10939167
4-fluoro-N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)benzamide
CID 13318472
N-{2-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-2,6-dimethyl-piperazin-1-yl]-ethyl}-4-fluoro-benzamide
CID 44336170
4-(dimethylamino)-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)benzamide
CID 53326601
(4-Methoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 722098
(2-Methoxyphenyl)[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 3335915
(2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-{[4-(morpholin-4-yl)phenyl]formamido}propanamide
CID 23648338
3-methoxy-N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}benzamide
CID 10406796

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-(2-ethoxyethoxymethyl)-2-methoxyphenyl]piperazin-1-yl]butyl]benzamide?
The IUPAC name of N-[4-[4-[4-(2-ethoxyethoxymethyl)-2-methoxyphenyl]piperazin-1-yl]butyl]benzamide (CID 57400562) is N-[4-[4-[4-(2-ethoxyethoxymethyl)-2-methoxyphenyl]piperazin-1-yl]butyl]benzamide.
What is the SMILES notation for N-[4-[4-[4-(2-ethoxyethoxymethyl)-2-methoxyphenyl]piperazin-1-yl]butyl]benzamide?
The canonical SMILES for N-[4-[4-[4-(2-ethoxyethoxymethyl)-2-methoxyphenyl]piperazin-1-yl]butyl]benzamide is CCOCCOCc1ccc(N2CCN(CCCCNC(=O)c3ccccc3)CC2)c(OC)c1.
What is the InChIKey of N-[4-[4-[4-(2-ethoxyethoxymethyl)-2-methoxyphenyl]piperazin-1-yl]butyl]benzamide?
The InChIKey is CYHIQHDBFGBIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N3O4/c1-3-33-19-20-34-22-23-11-12-25(26(21-23)32-2)30-17-15-29(16-18-30)14-8-7-13-28-27(31)24-9-5-4-6-10-24/h4-6,9-12,21H,3,7-8,13-20,22H2,1-2H3,(H,28,31).
What are the key properties of N-[4-[4-[4-(2-ethoxyethoxymethyl)-2-methoxyphenyl]piperazin-1-yl]butyl]benzamide?
N-[4-[4-[4-(2-ethoxyethoxymethyl)-2-methoxyphenyl]piperazin-1-yl]butyl]benzamide has a molecular weight of 469.63 g/mol, XLogP of 3.58, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-(2-ethoxyethoxymethyl)-2-methoxyphenyl]piperazin-1-yl]butyl]benzamide is sourced from PubChem (CID 57400562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).