4-(2-acetylphenyl)-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]benzamide

C22H26N2O3 — CID 126449800

IUPAC4-(2-acetylphenyl)-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]benzamide
SMILESCC(=O)c1ccccc1-c1ccc(C(=O)NC[C@@H](O)CN2CCCC2)cc1
InChIInChI=1S/C22H26N2O3/c1-16(25)20-6-2-3-7-21(20)17-8-10-18(11-9-17)22(27)23-14-19(26)15-24-12-4-5-13-24/h2-3,6-11,19,26H,4-5,12-15H2,1H3,(H,23,27)/t19-/m1/s1
InChIKeyFRTPJBSXGBFTDO-LJQANCHMSA-N
MW366.46 g/mol
LogP2.74
Rot. Bonds7

About 4-(2-acetylphenyl)-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]benzamide

4-(2-acetylphenyl)-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]benzamide (PubChem CID 126449800) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 4-(2-acetylphenyl)-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]benzamide.

Molecular Properties

Compound Name4-(2-acetylphenyl)-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]benzamide
PubChem CID126449800
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name4-(2-acetylphenyl)-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]benzamide
SMILESCC(=O)c1ccccc1-c1ccc(C(=O)NC[C@@H](O)CN2CCCC2)cc1
InChIInChI=1S/C22H26N2O3/c1-16(25)20-6-2-3-7-21(20)17-8-10-18(11-9-17)22(27)23-14-19(26)15-24-12-4-5-13-24/h2-3,6-11,19,26H,4-5,12-15H2,1H3,(H,23,27)/t19-/m1/s1
InChIKeyFRTPJBSXGBFTDO-LJQANCHMSA-N
XLogP2.74
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 111422376
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-methylbenzamide
CID 111112795
N-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropyl]-3-(3-methoxyphenyl)benzamide
CID 125171289
1-[4-(2-acetylphenyl)phenyl]ethanone
CID 11207145
1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]ethanone
CID 2968485
4-phenyl-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzamide
CID 93157618
4-phenyl-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 93157619
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 111422368
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-pyrazol-1-ylbenzamide
CID 111112821
2-cyclobutyloxy-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 111427408
4-cyclohexyl-N-(2-hydroxy-3-morpholin-4-ylpropyl)benzamide
CID 110887236
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 123229349

Frequently Asked Questions

What is the IUPAC name of 4-(2-acetylphenyl)-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]benzamide?
The IUPAC name of 4-(2-acetylphenyl)-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]benzamide (CID 126449800) is 4-(2-acetylphenyl)-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]benzamide.
What is the SMILES notation for 4-(2-acetylphenyl)-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]benzamide?
The canonical SMILES for 4-(2-acetylphenyl)-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]benzamide is CC(=O)c1ccccc1-c1ccc(C(=O)NC[C@@H](O)CN2CCCC2)cc1.
What is the InChIKey of 4-(2-acetylphenyl)-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]benzamide?
The InChIKey is FRTPJBSXGBFTDO-LJQANCHMSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-16(25)20-6-2-3-7-21(20)17-8-10-18(11-9-17)22(27)23-14-19(26)15-24-12-4-5-13-24/h2-3,6-11,19,26H,4-5,12-15H2,1H3,(H,23,27)/t19-/m1/s1.
What are the key properties of 4-(2-acetylphenyl)-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]benzamide?
4-(2-acetylphenyl)-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]benzamide has a molecular weight of 366.46 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-acetylphenyl)-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]benzamide is sourced from PubChem (CID 126449800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).