2-(2-methoxy-4-methylphenoxy)-N-[[(2R)-2-methyloxolan-2-yl]methyl]acetamide

C16H23NO4 — CID 95975822

IUPAC2-(2-methoxy-4-methylphenoxy)-N-[[(2R)-2-methyloxolan-2-yl]methyl]acetamide
SMILESCOc1cc(C)ccc1OCC(=O)NC[C@@]1(C)CCCO1
InChIInChI=1S/C16H23NO4/c1-12-5-6-13(14(9-12)19-3)20-10-15(18)17-11-16(2)7-4-8-21-16/h5-6,9H,4,7-8,10-11H2,1-3H3,(H,17,18)/t16-/m1/s1
InChIKeyLQTUQFQSTFVDTR-MRXNPFEDSA-N
MW293.36 g/mol
LogP2.07
Rot. Bonds6

About 2-(2-methoxy-4-methylphenoxy)-N-[[(2R)-2-methyloxolan-2-yl]methyl]acetamide

2-(2-methoxy-4-methylphenoxy)-N-[[(2R)-2-methyloxolan-2-yl]methyl]acetamide (PubChem CID 95975822) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-(2-methoxy-4-methylphenoxy)-N-[[(2R)-2-methyloxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxy-4-methylphenoxy)-N-[[(2R)-2-methyloxolan-2-yl]methyl]acetamide
PubChem CID95975822
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-(2-methoxy-4-methylphenoxy)-N-[[(2R)-2-methyloxolan-2-yl]methyl]acetamide
SMILESCOc1cc(C)ccc1OCC(=O)NC[C@@]1(C)CCCO1
InChIInChI=1S/C16H23NO4/c1-12-5-6-13(14(9-12)19-3)20-10-15(18)17-11-16(2)7-4-8-21-16/h5-6,9H,4,7-8,10-11H2,1-3H3,(H,17,18)/t16-/m1/s1
InChIKeyLQTUQFQSTFVDTR-MRXNPFEDSA-N
XLogP2.07
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxy-4-methylphenoxy)-N-[(3-methyloxetan-3-yl)methyl]acetamide
CID 78956644
2-(2-methoxy-4-methylphenoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 43793667
2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 2627667
2-[[2-(2-methoxy-4-methylphenoxy)acetyl]amino]acetamide
CID 60666680
N-cyclopropyl-2-[[2-(2-methoxy-4-methylphenoxy)acetyl]amino]acetamide
CID 18163671
2-(2-methoxy-4-methylphenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 115699567
2-(2-methoxy-4-methylphenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide
CID 55453591
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 31449562
N-[2-(1-adamantyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 35011100
N-[(4-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 7919164
2-(2-methoxy-4-methylphenoxy)-N-[(E)-pent-3-enyl]acetamide
CID 115628343
(3S)-3-[[2-(2-methoxy-4-methylphenoxy)acetyl]amino]thiolane-3-carboxylic acid
CID 125148894

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-methylphenoxy)-N-[[(2R)-2-methyloxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-(2-methoxy-4-methylphenoxy)-N-[[(2R)-2-methyloxolan-2-yl]methyl]acetamide (CID 95975822) is 2-(2-methoxy-4-methylphenoxy)-N-[[(2R)-2-methyloxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-methoxy-4-methylphenoxy)-N-[[(2R)-2-methyloxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-(2-methoxy-4-methylphenoxy)-N-[[(2R)-2-methyloxolan-2-yl]methyl]acetamide is COc1cc(C)ccc1OCC(=O)NC[C@@]1(C)CCCO1.
What is the InChIKey of 2-(2-methoxy-4-methylphenoxy)-N-[[(2R)-2-methyloxolan-2-yl]methyl]acetamide?
The InChIKey is LQTUQFQSTFVDTR-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H23NO4/c1-12-5-6-13(14(9-12)19-3)20-10-15(18)17-11-16(2)7-4-8-21-16/h5-6,9H,4,7-8,10-11H2,1-3H3,(H,17,18)/t16-/m1/s1.
What are the key properties of 2-(2-methoxy-4-methylphenoxy)-N-[[(2R)-2-methyloxolan-2-yl]methyl]acetamide?
2-(2-methoxy-4-methylphenoxy)-N-[[(2R)-2-methyloxolan-2-yl]methyl]acetamide has a molecular weight of 293.36 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-methylphenoxy)-N-[[(2R)-2-methyloxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 95975822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).