2-(2-methylphenoxy)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]acetamide

C17H27N3O2 — CID 95604367

IUPAC2-(2-methylphenoxy)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]acetamide
SMILESCc1ccccc1OCC(=O)NC[C@@H](C)N1CCN(C)CC1
InChIInChI=1S/C17H27N3O2/c1-14-6-4-5-7-16(14)22-13-17(21)18-12-15(2)20-10-8-19(3)9-11-20/h4-7,15H,8-13H2,1-3H3,(H,18,21)/t15-/m1/s1
InChIKeyVWIVEPFNZZEQCI-OAHLLOKOSA-N
MW305.42 g/mol
LogP1.13
Rot. Bonds6

About 2-(2-methylphenoxy)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]acetamide

2-(2-methylphenoxy)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]acetamide (PubChem CID 95604367) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]acetamide
PubChem CID95604367
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name2-(2-methylphenoxy)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]acetamide
SMILESCc1ccccc1OCC(=O)NC[C@@H](C)N1CCN(C)CC1
InChIInChI=1S/C17H27N3O2/c1-14-6-4-5-7-16(14)22-13-17(21)18-12-15(2)20-10-8-19(3)9-11-20/h4-7,15H,8-13H2,1-3H3,(H,18,21)/t15-/m1/s1
InChIKeyVWIVEPFNZZEQCI-OAHLLOKOSA-N
XLogP1.13
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-tert-butylphenoxy)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]acetamide
CID 95347893
N-[(2R)-2-hydroxypropyl]-2-(2-methylphenoxy)acetamide
CID 83032241
2-(2-methylphenoxy)-N-(4-methylpiperazin-1-yl)acetamide
CID 891918
2-(2-methoxyphenoxy)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 112504392
2-(2-methoxyphenoxy)-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide
CID 112502471
2-methyl-1-[2-(2-methylphenoxy)propyl]-3-[2-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111686957
N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2-(2,3-dimethylphenoxy)acetamide;hydrochloride
CID 52985111
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(2-methylphenoxy)acetamide
CID 26834283
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-(2-methylphenoxy)acetamide
CID 90597971
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-methylphenoxy)acetamide
CID 18111378
2-(2-methoxyphenoxy)-N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 112506458
2-(2-methoxyphenoxy)-N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 16801993

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]acetamide (CID 95604367) is 2-(2-methylphenoxy)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]acetamide is Cc1ccccc1OCC(=O)NC[C@@H](C)N1CCN(C)CC1.
What is the InChIKey of 2-(2-methylphenoxy)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]acetamide?
The InChIKey is VWIVEPFNZZEQCI-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-14-6-4-5-7-16(14)22-13-17(21)18-12-15(2)20-10-8-19(3)9-11-20/h4-7,15H,8-13H2,1-3H3,(H,18,21)/t15-/m1/s1.
What are the key properties of 2-(2-methylphenoxy)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]acetamide?
2-(2-methylphenoxy)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]acetamide has a molecular weight of 305.42 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]acetamide is sourced from PubChem (CID 95604367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).