2-[(2R)-2-benzylpyrrolidin-1-yl]-N-[(3R)-2-oxoazepan-3-yl]acetamide

C19H27N3O2 — CID 94083747

IUPAC2-[(2R)-2-benzylpyrrolidin-1-yl]-N-[(3R)-2-oxoazepan-3-yl]acetamide
SMILESO=C(CN1CCC[C@@H]1Cc1ccccc1)N[C@@H]1CCCCNC1=O
InChIInChI=1S/C19H27N3O2/c23-18(21-17-10-4-5-11-20-19(17)24)14-22-12-6-9-16(22)13-15-7-2-1-3-8-15/h1-3,7-8,16-17H,4-6,9-14H2,(H,20,24)(H,21,23)/t16-,17-/m1/s1
InChIKeyPDYKVNBLOLGQGE-IAGOWNOFSA-N
MW329.44 g/mol
LogP1.48
Rot. Bonds5

About 2-[(2R)-2-benzylpyrrolidin-1-yl]-N-[(3R)-2-oxoazepan-3-yl]acetamide

2-[(2R)-2-benzylpyrrolidin-1-yl]-N-[(3R)-2-oxoazepan-3-yl]acetamide (PubChem CID 94083747) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-[(2R)-2-benzylpyrrolidin-1-yl]-N-[(3R)-2-oxoazepan-3-yl]acetamide.

Molecular Properties

Compound Name2-[(2R)-2-benzylpyrrolidin-1-yl]-N-[(3R)-2-oxoazepan-3-yl]acetamide
PubChem CID94083747
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name2-[(2R)-2-benzylpyrrolidin-1-yl]-N-[(3R)-2-oxoazepan-3-yl]acetamide
SMILESO=C(CN1CCC[C@@H]1Cc1ccccc1)N[C@@H]1CCCCNC1=O
InChIInChI=1S/C19H27N3O2/c23-18(21-17-10-4-5-11-20-19(17)24)14-22-12-6-9-16(22)13-15-7-2-1-3-8-15/h1-3,7-8,16-17H,4-6,9-14H2,(H,20,24)(H,21,23)/t16-,17-/m1/s1
InChIKeyPDYKVNBLOLGQGE-IAGOWNOFSA-N
XLogP1.48
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-2-oxoazepan-3-yl]-3-phenylpropanamide
CID 92861083
2-[(2S)-2-benzylpyrrolidin-1-yl]-N-(1-cyclopropylpiperidin-4-yl)acetamide
CID 95235752
2-[(2R)-2-benzylpyrrolidin-1-yl]-N-(dicyclopropylmethyl)acetamide
CID 35564106
2-[benzyl(methyl)amino]-N-[(3R)-2-oxoazepan-3-yl]acetamide
CID 94162151
N-[(3S)-2-oxoazepan-3-yl]-2-(2-phenylimidazol-1-yl)acetamide
CID 97147991
(2S)-2-benzyl-N-[(3R)-2-oxoazepan-3-yl]morpholine-4-carboxamide
CID 124616348
1-benzyl-1-methyl-3-(2-oxoazepan-3-yl)urea
CID 47248762
2-(N-benzylanilino)-N-(2-oxopiperidin-3-yl)acetamide
CID 75390361
2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 124788254
2-(4-methylpiperazin-1-yl)-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 95280745
2-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide
CID 43704102
(2S)-2-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide
CID 61180000

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-benzylpyrrolidin-1-yl]-N-[(3R)-2-oxoazepan-3-yl]acetamide?
The IUPAC name of 2-[(2R)-2-benzylpyrrolidin-1-yl]-N-[(3R)-2-oxoazepan-3-yl]acetamide (CID 94083747) is 2-[(2R)-2-benzylpyrrolidin-1-yl]-N-[(3R)-2-oxoazepan-3-yl]acetamide.
What is the SMILES notation for 2-[(2R)-2-benzylpyrrolidin-1-yl]-N-[(3R)-2-oxoazepan-3-yl]acetamide?
The canonical SMILES for 2-[(2R)-2-benzylpyrrolidin-1-yl]-N-[(3R)-2-oxoazepan-3-yl]acetamide is O=C(CN1CCC[C@@H]1Cc1ccccc1)N[C@@H]1CCCCNC1=O.
What is the InChIKey of 2-[(2R)-2-benzylpyrrolidin-1-yl]-N-[(3R)-2-oxoazepan-3-yl]acetamide?
The InChIKey is PDYKVNBLOLGQGE-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H27N3O2/c23-18(21-17-10-4-5-11-20-19(17)24)14-22-12-6-9-16(22)13-15-7-2-1-3-8-15/h1-3,7-8,16-17H,4-6,9-14H2,(H,20,24)(H,21,23)/t16-,17-/m1/s1.
What are the key properties of 2-[(2R)-2-benzylpyrrolidin-1-yl]-N-[(3R)-2-oxoazepan-3-yl]acetamide?
2-[(2R)-2-benzylpyrrolidin-1-yl]-N-[(3R)-2-oxoazepan-3-yl]acetamide has a molecular weight of 329.44 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-benzylpyrrolidin-1-yl]-N-[(3R)-2-oxoazepan-3-yl]acetamide is sourced from PubChem (CID 94083747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).