2-(2-methoxy-5-methylphenyl)-N-[(2R)-1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide

C19H31N3O2 — CID 51589916

IUPAC2-(2-methoxy-5-methylphenyl)-N-[(2R)-1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide
SMILESCC[C@H](CN1CCN(C)CC1)NC(=O)Cc1cc(C)ccc1OC
InChIInChI=1S/C19H31N3O2/c1-5-17(14-22-10-8-21(3)9-11-22)20-19(23)13-16-12-15(2)6-7-18(16)24-4/h6-7,12,17H,5,8-11,13-14H2,1-4H3,(H,20,23)/t17-/m1/s1
InChIKeyMOMWZSJUTXYGBO-QGZVFWFLSA-N
MW333.48 g/mol
LogP1.69
Rot. Bonds7

About 2-(2-methoxy-5-methylphenyl)-N-[(2R)-1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide

2-(2-methoxy-5-methylphenyl)-N-[(2R)-1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide (PubChem CID 51589916) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylphenyl)-N-[(2R)-1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-methoxy-5-methylphenyl)-N-[(2R)-1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide
PubChem CID51589916
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name2-(2-methoxy-5-methylphenyl)-N-[(2R)-1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide
SMILESCC[C@H](CN1CCN(C)CC1)NC(=O)Cc1cc(C)ccc1OC
InChIInChI=1S/C19H31N3O2/c1-5-17(14-22-10-8-21(3)9-11-22)20-19(23)13-16-12-15(2)6-7-18(16)24-4/h6-7,12,17H,5,8-11,13-14H2,1-4H3,(H,20,23)/t17-/m1/s1
InChIKeyMOMWZSJUTXYGBO-QGZVFWFLSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-methoxy-5-methylphenyl)-N-[(2R)-1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide with MolForge

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Related Compounds

2-(2-methoxy-5-methylphenyl)-N-[(2R)-1-morpholin-4-ylbutan-2-yl]acetamide
CID 51872361
2-(6-methyl-1-benzofuran-3-yl)-N-[1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide
CID 46966909
2-(5-acetyl-2-methoxyphenyl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
CID 51505135
2-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]butanoic acid
CID 43388197
ethane;1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpiperazine
CID 144540102
2-(6-methyl-1-benzofuran-3-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
CID 51505096
1-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]urea
CID 95759822
2-(2-methoxy-5-methylphenyl)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 39969472
2-(2-methoxy-5-methylphenyl)-N-methylacetamide
CID 39969431
2-(5-chloro-2-methoxyphenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 113351921
3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-2-one
CID 114965728
2-(2,5-dimethyl-1H-indol-3-yl)-N-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
CID 51505044

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylphenyl)-N-[(2R)-1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide?
The IUPAC name of 2-(2-methoxy-5-methylphenyl)-N-[(2R)-1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide (CID 51589916) is 2-(2-methoxy-5-methylphenyl)-N-[(2R)-1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide.
What is the SMILES notation for 2-(2-methoxy-5-methylphenyl)-N-[(2R)-1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide?
The canonical SMILES for 2-(2-methoxy-5-methylphenyl)-N-[(2R)-1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide is CC[C@H](CN1CCN(C)CC1)NC(=O)Cc1cc(C)ccc1OC.
What is the InChIKey of 2-(2-methoxy-5-methylphenyl)-N-[(2R)-1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide?
The InChIKey is MOMWZSJUTXYGBO-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-5-17(14-22-10-8-21(3)9-11-22)20-19(23)13-16-12-15(2)6-7-18(16)24-4/h6-7,12,17H,5,8-11,13-14H2,1-4H3,(H,20,23)/t17-/m1/s1.
What are the key properties of 2-(2-methoxy-5-methylphenyl)-N-[(2R)-1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide?
2-(2-methoxy-5-methylphenyl)-N-[(2R)-1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide has a molecular weight of 333.48 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methylphenyl)-N-[(2R)-1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide is sourced from PubChem (CID 51589916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).