2-[4-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide

C27H38N4O5 — CID 24574969

IUPAC2-[4-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN1CCN(CC(=O)NCc2ccc(OCc3ccccc3)c(OC)c2)CC1
InChIInChI=1S/C27H38N4O5/c1-34-16-6-11-28-26(32)19-30-12-14-31(15-13-30)20-27(33)29-18-23-9-10-24(25(17-23)35-2)36-21-22-7-4-3-5-8-22/h3-5,7-10,17H,6,11-16,18-21H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyAULXWFPXWLBCCK-UHFFFAOYSA-N
MW498.62 g/mol
LogP1.66
Rot. Bonds14

About 2-[4-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide

2-[4-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide (PubChem CID 24574969) has the molecular formula C27H38N4O5 and a molecular weight of 498.62 g/mol. Its IUPAC name is 2-[4-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
PubChem CID24574969
Molecular FormulaC27H38N4O5
Molecular Weight498.62 g/mol
Exact Mass498.28
IUPAC Name2-[4-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN1CCN(CC(=O)NCc2ccc(OCc3ccccc3)c(OC)c2)CC1
InChIInChI=1S/C27H38N4O5/c1-34-16-6-11-28-26(32)19-30-12-14-31(15-13-30)20-27(33)29-18-23-9-10-24(25(17-23)35-2)36-21-22-7-4-3-5-8-22/h3-5,7-10,17H,6,11-16,18-21H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyAULXWFPXWLBCCK-UHFFFAOYSA-N
XLogP1.66
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.62
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 167991014
2-(4-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865855
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide
CID 27865842
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 8623456
4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-4-oxobutanoate
CID 9151302
2-(4-ethoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865748
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-propylpiperazin-1-yl)acetamide
CID 4788921
N-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide
CID 18140436
N-[4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-4-oxobutyl]thiophene-2-carboxamide
CID 27865916
2-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 78871572
2-(diethylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 86908679
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]cyclopropanecarboxamide
CID 9325326

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[4-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide (CID 24574969) is 2-[4-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[4-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[4-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN1CCN(CC(=O)NCc2ccc(OCc3ccccc3)c(OC)c2)CC1.
What is the InChIKey of 2-[4-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide?
The InChIKey is AULXWFPXWLBCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4O5/c1-34-16-6-11-28-26(32)19-30-12-14-31(15-13-30)20-27(33)29-18-23-9-10-24(25(17-23)35-2)36-21-22-7-4-3-5-8-22/h3-5,7-10,17H,6,11-16,18-21H2,1-2H3,(H,28,32)(H,29,33).
What are the key properties of 2-[4-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide?
2-[4-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide has a molecular weight of 498.62 g/mol, XLogP of 1.66, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 24574969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).