N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-(4-methylphenoxy)acetamide

C19H31N3O2 — CID 110403144

IUPACN-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCC(C(C)C)N2CCN(C)CC2)cc1
InChIInChI=1S/C19H31N3O2/c1-15(2)18(22-11-9-21(4)10-12-22)13-20-19(23)14-24-17-7-5-16(3)6-8-17/h5-8,15,18H,9-14H2,1-4H3,(H,20,23)
InChIKeyJZPNAHVJFSMGRX-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.76
Rot. Bonds7

About N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-(4-methylphenoxy)acetamide

N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-(4-methylphenoxy)acetamide (PubChem CID 110403144) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-(4-methylphenoxy)acetamide
PubChem CID110403144
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC NameN-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCC(C(C)C)N2CCN(C)CC2)cc1
InChIInChI=1S/C19H31N3O2/c1-15(2)18(22-11-9-21(4)10-12-22)13-20-19(23)14-24-17-7-5-16(3)6-8-17/h5-8,15,18H,9-14H2,1-4H3,(H,20,23)
InChIKeyJZPNAHVJFSMGRX-UHFFFAOYSA-N
XLogP1.76
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide
CID 18153802
N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 78871045
1-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-3-(4-methylphenyl)sulfonylurea
CID 110403158
2-(2-aminoethoxy)-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide
CID 79472930
2-(4-methylphenoxy)-N-[2-[[2-(4-methylphenoxy)acetyl]amino]propyl]acetamide
CID 2899982
2-[4-(4-methylphenoxy)phenoxy]-N-(2-methylpropyl)acetamide
CID 23732384
N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(4-methylphenoxy)acetamide
CID 95314131
3-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-3-oxopropanoic acid
CID 55049690
2-(2,4-dimethylphenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide
CID 43067301
2-[4-[2-[[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]amino]-2-oxoethoxy]phenyl]acetamide
CID 95586206
N-(2-hydroxypropyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 78855960
1-(4-methoxyphenyl)-3-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea
CID 30739567

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-(4-methylphenoxy)acetamide (CID 110403144) is N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)NCC(C(C)C)N2CCN(C)CC2)cc1.
What is the InChIKey of N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is JZPNAHVJFSMGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-15(2)18(22-11-9-21(4)10-12-22)13-20-19(23)14-24-17-7-5-16(3)6-8-17/h5-8,15,18H,9-14H2,1-4H3,(H,20,23).
What are the key properties of N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-(4-methylphenoxy)acetamide?
N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 333.48 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 110403144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).