2-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-cyclopropylethyl]acetamide

C16H21NO4 — CID 8808309

IUPAC2-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-cyclopropylethyl]acetamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)N[C@H](C)C1CC1
InChIInChI=1S/C16H21NO4/c1-10(12-4-5-12)17-16(19)9-21-14-7-6-13(11(2)18)8-15(14)20-3/h6-8,10,12H,4-5,9H2,1-3H3,(H,17,19)/t10-/m1/s1
InChIKeyDTQBLALDRFELOE-SNVBAGLBSA-N
MW291.35 g/mol
LogP2.19
Rot. Bonds7

About 2-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-cyclopropylethyl]acetamide

2-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-cyclopropylethyl]acetamide (PubChem CID 8808309) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-cyclopropylethyl]acetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-cyclopropylethyl]acetamide
PubChem CID8808309
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-cyclopropylethyl]acetamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)N[C@H](C)C1CC1
InChIInChI=1S/C16H21NO4/c1-10(12-4-5-12)17-16(19)9-21-14-7-6-13(11(2)18)8-15(14)20-3/h6-8,10,12H,4-5,9H2,1-3H3,(H,17,19)/t10-/m1/s1
InChIKeyDTQBLALDRFELOE-SNVBAGLBSA-N
XLogP2.19
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-acetylnaphthalen-2-yl)oxy-N-(1-cyclopropylethyl)acetamide
CID 71863242
2-(4-acetyl-2-methoxyphenoxy)-N-cyclooctylacetamide
CID 7962262
2-(4-acetyl-2-methoxyphenoxy)-N-[(2S)-5-methylhexan-2-yl]acetamide
CID 8808315
3-chloro-4-[2-(1-cyclopropylethylamino)-2-oxoethoxy]benzoic acid
CID 45303918
2-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 7732618
2-(4-acetyl-2-methoxyphenoxy)-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]acetamide
CID 55746116
[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 8879951
[2-[[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 98364701
[2-[[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 98364700
methyl 2-[2-(1-cyclopropylethylamino)-2-oxoethoxy]-5-methoxybenzoate
CID 47069669
2-(2-methoxy-4-methylphenoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 43793667
[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 8540784

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-cyclopropylethyl]acetamide?
The IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-cyclopropylethyl]acetamide (CID 8808309) is 2-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-cyclopropylethyl]acetamide.
What is the SMILES notation for 2-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-cyclopropylethyl]acetamide?
The canonical SMILES for 2-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-cyclopropylethyl]acetamide is COc1cc(C(C)=O)ccc1OCC(=O)N[C@H](C)C1CC1.
What is the InChIKey of 2-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-cyclopropylethyl]acetamide?
The InChIKey is DTQBLALDRFELOE-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H21NO4/c1-10(12-4-5-12)17-16(19)9-21-14-7-6-13(11(2)18)8-15(14)20-3/h6-8,10,12H,4-5,9H2,1-3H3,(H,17,19)/t10-/m1/s1.
What are the key properties of 2-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-cyclopropylethyl]acetamide?
2-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-cyclopropylethyl]acetamide has a molecular weight of 291.35 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-cyclopropylethyl]acetamide is sourced from PubChem (CID 8808309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).