N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-phenoxy-2-phenylacetamide

C26H29N3O2 — CID 56517105

IUPACN-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-phenoxy-2-phenylacetamide
SMILESCN1CCN(c2ccccc2CNC(=O)C(Oc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H29N3O2/c1-28-16-18-29(19-17-28)24-15-9-8-12-22(24)20-27-26(30)25(21-10-4-2-5-11-21)31-23-13-6-3-7-14-23/h2-15,25H,16-20H2,1H3,(H,27,30)
InChIKeyIFZHSFBAGMTODH-UHFFFAOYSA-N
MW415.54 g/mol
LogP3.87
Rot. Bonds7

About N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-phenoxy-2-phenylacetamide

N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-phenoxy-2-phenylacetamide (PubChem CID 56517105) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-phenoxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-phenoxy-2-phenylacetamide
PubChem CID56517105
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC NameN-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-phenoxy-2-phenylacetamide
SMILESCN1CCN(c2ccccc2CNC(=O)C(Oc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H29N3O2/c1-28-16-18-29(19-17-28)24-15-9-8-12-22(24)20-27-26(30)25(21-10-4-2-5-11-21)31-23-13-6-3-7-14-23/h2-15,25H,16-20H2,1H3,(H,27,30)
InChIKeyIFZHSFBAGMTODH-UHFFFAOYSA-N
XLogP3.87
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2,2-diphenylacetamide
CID 56518010
(2R)-2-methoxy-2-phenyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide
CID 94866137
N-methoxy-1-[2-(4-methylpiperazin-1-yl)phenyl]methanamine
CID 117343517
benzyl N-[(2S)-3-methyl-1-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]-1-oxobutan-2-yl]carbamate
CID 56518390
N-[(4-methoxyphenyl)methyl]-2-phenoxy-2-phenylacetamide
CID 46484867
3-acetamido-3-(4-methoxyphenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide
CID 56518375
4-butoxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56516937
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]octanamide
CID 56517889
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-propan-2-ylsulfanylbenzamide
CID 56518359
(E)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 56517919
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 56517039
4-cyclopentyloxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56518367

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-phenoxy-2-phenylacetamide?
The IUPAC name of N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-phenoxy-2-phenylacetamide (CID 56517105) is N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-phenoxy-2-phenylacetamide.
What is the SMILES notation for N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-phenoxy-2-phenylacetamide?
The canonical SMILES for N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-phenoxy-2-phenylacetamide is CN1CCN(c2ccccc2CNC(=O)C(Oc2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-phenoxy-2-phenylacetamide?
The InChIKey is IFZHSFBAGMTODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-28-16-18-29(19-17-28)24-15-9-8-12-22(24)20-27-26(30)25(21-10-4-2-5-11-21)31-23-13-6-3-7-14-23/h2-15,25H,16-20H2,1H3,(H,27,30).
What are the key properties of N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-phenoxy-2-phenylacetamide?
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-phenoxy-2-phenylacetamide has a molecular weight of 415.54 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-phenoxy-2-phenylacetamide is sourced from PubChem (CID 56517105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).