N-[3-(4-ethylpiperazin-1-yl)propyl]-2-[[3-(2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide

C28H39N3O3 — CID 132779821

IUPACN-[3-(4-ethylpiperazin-1-yl)propyl]-2-[[3-(2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide
SMILESCCN1CCN(CCCNC(=O)C2(Cc3cccc(-c4ccccc4OC)c3)CCCO2)CC1
InChIInChI=1S/C28H39N3O3/c1-3-30-16-18-31(19-17-30)15-8-14-29-27(32)28(13-7-20-34-28)22-23-9-6-10-24(21-23)25-11-4-5-12-26(25)33-2/h4-6,9-12,21H,3,7-8,13-20,22H2,1-2H3,(H,29,32)
InChIKeyMHGWVIMGSOTZLU-UHFFFAOYSA-N
MW465.64 g/mol
LogP3.60
Rot. Bonds10

About N-[3-(4-ethylpiperazin-1-yl)propyl]-2-[[3-(2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide

N-[3-(4-ethylpiperazin-1-yl)propyl]-2-[[3-(2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide (PubChem CID 132779821) has the molecular formula C28H39N3O3 and a molecular weight of 465.64 g/mol. Its IUPAC name is N-[3-(4-ethylpiperazin-1-yl)propyl]-2-[[3-(2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-ethylpiperazin-1-yl)propyl]-2-[[3-(2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide
PubChem CID132779821
Molecular FormulaC28H39N3O3
Molecular Weight465.64 g/mol
Exact Mass465.30
IUPAC NameN-[3-(4-ethylpiperazin-1-yl)propyl]-2-[[3-(2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide
SMILESCCN1CCN(CCCNC(=O)C2(Cc3cccc(-c4ccccc4OC)c3)CCCO2)CC1
InChIInChI=1S/C28H39N3O3/c1-3-30-16-18-31(19-17-30)15-8-14-29-27(32)28(13-7-20-34-28)22-23-9-6-10-24(21-23)25-11-4-5-12-26(25)33-2/h4-6,9-12,21H,3,7-8,13-20,22H2,1-2H3,(H,29,32)
InChIKeyMHGWVIMGSOTZLU-UHFFFAOYSA-N
XLogP3.60
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.64
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-[[3-(2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide
CID 129456579
(2S)-2-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]oxolane-2-carboxamide
CID 95806174
(2S)-N-(2-acetamidoethyl)-2-[[3-(2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide
CID 124970605
(2S)-N-(4-imidazol-1-ylbutyl)-2-[[3-(2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide
CID 129457151
2-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 132779946
(2S)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[3-(4-methylpiperidin-1-yl)propyl]oxolane-2-carboxamide
CID 129455270
(2R)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide
CID 129457272
N-[3-(dimethylamino)propyl]-4-[[3-(2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 110087861
N-(2-methoxyethyl)-4-[[3-(2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 95805201
N-[3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propyl]-4-[[3-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 129457212
(2R)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxolane-2-carboxamide
CID 129454956
4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide
CID 129455548

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylpiperazin-1-yl)propyl]-2-[[3-(2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-(4-ethylpiperazin-1-yl)propyl]-2-[[3-(2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide (CID 132779821) is N-[3-(4-ethylpiperazin-1-yl)propyl]-2-[[3-(2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-(4-ethylpiperazin-1-yl)propyl]-2-[[3-(2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-(4-ethylpiperazin-1-yl)propyl]-2-[[3-(2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide is CCN1CCN(CCCNC(=O)C2(Cc3cccc(-c4ccccc4OC)c3)CCCO2)CC1.
What is the InChIKey of N-[3-(4-ethylpiperazin-1-yl)propyl]-2-[[3-(2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide?
The InChIKey is MHGWVIMGSOTZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N3O3/c1-3-30-16-18-31(19-17-30)15-8-14-29-27(32)28(13-7-20-34-28)22-23-9-6-10-24(21-23)25-11-4-5-12-26(25)33-2/h4-6,9-12,21H,3,7-8,13-20,22H2,1-2H3,(H,29,32).
What are the key properties of N-[3-(4-ethylpiperazin-1-yl)propyl]-2-[[3-(2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide?
N-[3-(4-ethylpiperazin-1-yl)propyl]-2-[[3-(2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide has a molecular weight of 465.64 g/mol, XLogP of 3.60, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylpiperazin-1-yl)propyl]-2-[[3-(2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 132779821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).