2-(5-acetyl-2-methoxyphenyl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide

C19H28N2O3 — CID 51505135

IUPAC2-(5-acetyl-2-methoxyphenyl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
SMILESCC[C@@H](CN1CCCC1)NC(=O)Cc1cc(C(C)=O)ccc1OC
InChIInChI=1S/C19H28N2O3/c1-4-17(13-21-9-5-6-10-21)20-19(23)12-16-11-15(14(2)22)7-8-18(16)24-3/h7-8,11,17H,4-6,9-10,12-13H2,1-3H3,(H,20,23)/t17-/m0/s1
InChIKeySAPXWOXENLBZGS-KRWDZBQOSA-N
MW332.44 g/mol
LogP2.43
Rot. Bonds8

About 2-(5-acetyl-2-methoxyphenyl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide

2-(5-acetyl-2-methoxyphenyl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide (PubChem CID 51505135) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 2-(5-acetyl-2-methoxyphenyl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(5-acetyl-2-methoxyphenyl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
PubChem CID51505135
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name2-(5-acetyl-2-methoxyphenyl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
SMILESCC[C@@H](CN1CCCC1)NC(=O)Cc1cc(C(C)=O)ccc1OC
InChIInChI=1S/C19H28N2O3/c1-4-17(13-21-9-5-6-10-21)20-19(23)12-16-11-15(14(2)22)7-8-18(16)24-3/h7-8,11,17H,4-6,9-10,12-13H2,1-3H3,(H,20,23)/t17-/m0/s1
InChIKeySAPXWOXENLBZGS-KRWDZBQOSA-N
XLogP2.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxy-5-methylphenyl)-N-[(2R)-1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide
CID 51589916
2-(2-methoxy-5-methylphenyl)-N-[(2R)-1-morpholin-4-ylbutan-2-yl]acetamide
CID 51872361
(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-(1-amino-4-methylpentan-2-yl)acetamide
CID 119585445
2-(5-acetyl-2-methoxyphenyl)-N-(1-methoxypropan-2-yl)acetamide
CID 18161044
(2S)-2-(3-acetylphenoxy)-N-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]propanamide
CID 95771838
2-(6-methyl-1-benzofuran-3-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
CID 51505096
2-(5-acetyl-2-methoxyphenyl)-N-(1-propylpiperidin-4-yl)acetamide
CID 78809941
4-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]-5-cyclohexylpentanoic acid
CID 122056600
2-(2,3-dihydro-1H-inden-5-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
CID 51505108
2-(5-acetyl-2-methoxyphenyl)-N-(2-amino-1-cyclopropylethyl)acetamide
CID 119612751

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide?
The IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide (CID 51505135) is 2-(5-acetyl-2-methoxyphenyl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(5-acetyl-2-methoxyphenyl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide?
The canonical SMILES for 2-(5-acetyl-2-methoxyphenyl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide is CC[C@@H](CN1CCCC1)NC(=O)Cc1cc(C(C)=O)ccc1OC.
What is the InChIKey of 2-(5-acetyl-2-methoxyphenyl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide?
The InChIKey is SAPXWOXENLBZGS-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-4-17(13-21-9-5-6-10-21)20-19(23)12-16-11-15(14(2)22)7-8-18(16)24-3/h7-8,11,17H,4-6,9-10,12-13H2,1-3H3,(H,20,23)/t17-/m0/s1.
What are the key properties of 2-(5-acetyl-2-methoxyphenyl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide?
2-(5-acetyl-2-methoxyphenyl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide has a molecular weight of 332.44 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-2-methoxyphenyl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide is sourced from PubChem (CID 51505135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).