N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(2-oxopiperidin-1-yl)acetamide

C17H24N2O3 — CID 78869844

IUPACN-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(2-oxopiperidin-1-yl)acetamide
SMILESCc1cccc(OCCN(C)C(=O)CN2CCCCC2=O)c1
InChIInChI=1S/C17H24N2O3/c1-14-6-5-7-15(12-14)22-11-10-18(2)17(21)13-19-9-4-3-8-16(19)20/h5-7,12H,3-4,8-11,13H2,1-2H3
InChIKeyJCQQZIXUKGHEOF-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.84
Rot. Bonds6

About N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(2-oxopiperidin-1-yl)acetamide

N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(2-oxopiperidin-1-yl)acetamide (PubChem CID 78869844) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(2-oxopiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(2-oxopiperidin-1-yl)acetamide
PubChem CID78869844
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(2-oxopiperidin-1-yl)acetamide
SMILESCc1cccc(OCCN(C)C(=O)CN2CCCCC2=O)c1
InChIInChI=1S/C17H24N2O3/c1-14-6-5-7-15(12-14)22-11-10-18(2)17(21)13-19-9-4-3-8-16(19)20/h5-7,12H,3-4,8-11,13H2,1-2H3
InChIKeyJCQQZIXUKGHEOF-UHFFFAOYSA-N
XLogP1.84
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3-methylphenoxy)propyl]-2-(2-oxoazepan-1-yl)acetamide
CID 31339031
N-methyl-N-[3-(2-methylphenoxy)propyl]-2-(2-oxoazocan-1-yl)acetamide
CID 55897940
N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 60676013
2-(cyclopropylamino)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 54872517
N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18093717
2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 61109512
N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-piperidin-3-ylacetamide
CID 62675082
3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide;hydrochloride
CID 119274543
3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 54875471
2-(4-bromophenyl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 55431376
2,2-dimethyl-4-[methyl-[2-(3-methylphenoxy)ethyl]amino]-4-oxobutanoic acid
CID 65302126
N,2,2-trimethyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 60676012

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(2-oxopiperidin-1-yl)acetamide?
The IUPAC name of N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(2-oxopiperidin-1-yl)acetamide (CID 78869844) is N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(2-oxopiperidin-1-yl)acetamide.
What is the SMILES notation for N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(2-oxopiperidin-1-yl)acetamide?
The canonical SMILES for N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(2-oxopiperidin-1-yl)acetamide is Cc1cccc(OCCN(C)C(=O)CN2CCCCC2=O)c1.
What is the InChIKey of N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(2-oxopiperidin-1-yl)acetamide?
The InChIKey is JCQQZIXUKGHEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-14-6-5-7-15(12-14)22-11-10-18(2)17(21)13-19-9-4-3-8-16(19)20/h5-7,12H,3-4,8-11,13H2,1-2H3.
What are the key properties of N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(2-oxopiperidin-1-yl)acetamide?
N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(2-oxopiperidin-1-yl)acetamide has a molecular weight of 304.39 g/mol, XLogP of 1.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(2-oxopiperidin-1-yl)acetamide is sourced from PubChem (CID 78869844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).