2-(5-acetyl-2-methoxyphenyl)-N-(2-amino-1-cyclopropylethyl)acetamide

C16H22N2O3 — CID 119612751

IUPAC2-(5-acetyl-2-methoxyphenyl)-N-(2-amino-1-cyclopropylethyl)acetamide
SMILESCOc1ccc(C(C)=O)cc1CC(=O)NC(CN)C1CC1
InChIInChI=1S/C16H22N2O3/c1-10(19)12-5-6-15(21-2)13(7-12)8-16(20)18-14(9-17)11-3-4-11/h5-7,11,14H,3-4,8-9,17H2,1-2H3,(H,18,20)
InChIKeyVEUNGINULGTLEH-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.29
Rot. Bonds7

About 2-(5-acetyl-2-methoxyphenyl)-N-(2-amino-1-cyclopropylethyl)acetamide

2-(5-acetyl-2-methoxyphenyl)-N-(2-amino-1-cyclopropylethyl)acetamide (PubChem CID 119612751) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-(5-acetyl-2-methoxyphenyl)-N-(2-amino-1-cyclopropylethyl)acetamide.

Molecular Properties

Compound Name2-(5-acetyl-2-methoxyphenyl)-N-(2-amino-1-cyclopropylethyl)acetamide
PubChem CID119612751
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-(5-acetyl-2-methoxyphenyl)-N-(2-amino-1-cyclopropylethyl)acetamide
SMILESCOc1ccc(C(C)=O)cc1CC(=O)NC(CN)C1CC1
InChIInChI=1S/C16H22N2O3/c1-10(19)12-5-6-15(21-2)13(7-12)8-16(20)18-14(9-17)11-3-4-11/h5-7,11,14H,3-4,8-9,17H2,1-2H3,(H,18,20)
InChIKeyVEUNGINULGTLEH-UHFFFAOYSA-N
XLogP1.29
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-acetyl-2-methoxyphenyl)-N-(1-amino-4-methylpentan-2-yl)acetamide
CID 119585445
N-(2-amino-1-cyclohexylethyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 119590262
2-(5-acetyl-2-methoxyphenyl)-N-(1-methoxypropan-2-yl)acetamide
CID 18161044
4-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]-5-cyclohexylpentanoic acid
CID 122056600
(2S,3S)-2-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]-3-methylpentanoic acid
CID 119194209
2-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]-3-methylpentanoic acid
CID 119211962
2-(5-acetyl-2-methoxyphenyl)-N-(3-aminopropyl)acetamide
CID 119404836
2-(5-acetyl-2-methoxyphenyl)-N-piperidin-4-ylacetamide;hydrochloride
CID 119385762
N-(2-amino-1-cyclopropylethyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide;hydrochloride
CID 119615872
N-(2-amino-1-cyclopropylethyl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide;hydrochloride
CID 119613742
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148
2-(5-acetyl-2-methoxyphenyl)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120830590

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-N-(2-amino-1-cyclopropylethyl)acetamide?
The IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-N-(2-amino-1-cyclopropylethyl)acetamide (CID 119612751) is 2-(5-acetyl-2-methoxyphenyl)-N-(2-amino-1-cyclopropylethyl)acetamide.
What is the SMILES notation for 2-(5-acetyl-2-methoxyphenyl)-N-(2-amino-1-cyclopropylethyl)acetamide?
The canonical SMILES for 2-(5-acetyl-2-methoxyphenyl)-N-(2-amino-1-cyclopropylethyl)acetamide is COc1ccc(C(C)=O)cc1CC(=O)NC(CN)C1CC1.
What is the InChIKey of 2-(5-acetyl-2-methoxyphenyl)-N-(2-amino-1-cyclopropylethyl)acetamide?
The InChIKey is VEUNGINULGTLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-10(19)12-5-6-15(21-2)13(7-12)8-16(20)18-14(9-17)11-3-4-11/h5-7,11,14H,3-4,8-9,17H2,1-2H3,(H,18,20).
What are the key properties of 2-(5-acetyl-2-methoxyphenyl)-N-(2-amino-1-cyclopropylethyl)acetamide?
2-(5-acetyl-2-methoxyphenyl)-N-(2-amino-1-cyclopropylethyl)acetamide has a molecular weight of 290.36 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-2-methoxyphenyl)-N-(2-amino-1-cyclopropylethyl)acetamide is sourced from PubChem (CID 119612751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).