trans-(1R,3R)-3-benzyl-N-[(2S)-3-oxobutan-2-yl]cyclopentane-1-carboxamide

C17H23NO2 — CID 157423820

IUPACtrans-(1R,3R)-3-benzyl-N-[(2S)-3-oxobutan-2-yl]cyclopentane-1-carboxamide
SMILESCC(=O)[C@H](C)NC(=O)[C@@H]1CC[C@@H](Cc2ccccc2)C1
InChIInChI=1S/C17H23NO2/c1-12(13(2)19)18-17(20)16-9-8-15(11-16)10-14-6-4-3-5-7-14/h3-7,12,15-16H,8-11H2,1-2H3,(H,18,20)/t12-,15-,16+/m0/s1
InChIKeyDCLVORFWJVBBFY-VBNZEHGJSA-N
MW273.38 g/mol
LogP2.74
Rot. Bonds5

About trans-(1R,3R)-3-benzyl-N-[(2S)-3-oxobutan-2-yl]cyclopentane-1-carboxamide

trans-(1R,3R)-3-benzyl-N-[(2S)-3-oxobutan-2-yl]cyclopentane-1-carboxamide (PubChem CID 157423820) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is trans-(1R,3R)-3-benzyl-N-[(2S)-3-oxobutan-2-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,3R)-3-benzyl-N-[(2S)-3-oxobutan-2-yl]cyclopentane-1-carboxamide
PubChem CID157423820
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Nametrans-(1R,3R)-3-benzyl-N-[(2S)-3-oxobutan-2-yl]cyclopentane-1-carboxamide
SMILESCC(=O)[C@H](C)NC(=O)[C@@H]1CC[C@@H](Cc2ccccc2)C1
InChIInChI=1S/C17H23NO2/c1-12(13(2)19)18-17(20)16-9-8-15(11-16)10-14-6-4-3-5-7-14/h3-7,12,15-16H,8-11H2,1-2H3,(H,18,20)/t12-,15-,16+/m0/s1
InChIKeyDCLVORFWJVBBFY-VBNZEHGJSA-N
XLogP2.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R,3R)-3-benzylcyclopentyl]ethanone
CID 159558232
cis-(1R,3S)-3-benzyl-N-[(2S)-5-(4-carbamimidoylphenyl)-3-oxopentan-2-yl]cyclopentane-1-carboxamide
CID 162262767
(1R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-benzylcyclopentane-1-carboxamide
CID 161057845
trans-(1R,3R)-3-benzyl-N-[(2S)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide
CID 157413299
trans-(1R,3R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-[(3-phenylphenyl)methyl]cyclopentane-1-carboxamide
CID 159674682
trans-(1R,3R)-3-benzyl-N-[(2S)-5-[5-bromo-3-methyl-2-(tetrazol-2-yl)phenyl]-3-oxopentan-2-yl]cyclopentane-1-carboxamide
CID 158616696
4-ethyl-N-[(2S)-1-phenylpropan-2-yl]cyclohexane-1-carboxamide
CID 143582759
N-[(2S)-4-phenylbutan-2-yl]cyclopropanecarboxamide
CID 844321
3-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119750964
N-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]acetamide
CID 78780530
methyl 2-[(3-aminocyclopentanecarbonyl)amino]-3-phenylpropanoate;hydrochloride
CID 119726356
(2R)-2-[(3-benzylcyclopentyl)amino]-3-phenylpropanoic acid
CID 122037860

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-benzyl-N-[(2S)-3-oxobutan-2-yl]cyclopentane-1-carboxamide?
The IUPAC name of trans-(1R,3R)-3-benzyl-N-[(2S)-3-oxobutan-2-yl]cyclopentane-1-carboxamide (CID 157423820) is trans-(1R,3R)-3-benzyl-N-[(2S)-3-oxobutan-2-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1R,3R)-3-benzyl-N-[(2S)-3-oxobutan-2-yl]cyclopentane-1-carboxamide?
The canonical SMILES for trans-(1R,3R)-3-benzyl-N-[(2S)-3-oxobutan-2-yl]cyclopentane-1-carboxamide is CC(=O)[C@H](C)NC(=O)[C@@H]1CC[C@@H](Cc2ccccc2)C1.
What is the InChIKey of trans-(1R,3R)-3-benzyl-N-[(2S)-3-oxobutan-2-yl]cyclopentane-1-carboxamide?
The InChIKey is DCLVORFWJVBBFY-VBNZEHGJSA-N. The full InChI is InChI=1S/C17H23NO2/c1-12(13(2)19)18-17(20)16-9-8-15(11-16)10-14-6-4-3-5-7-14/h3-7,12,15-16H,8-11H2,1-2H3,(H,18,20)/t12-,15-,16+/m0/s1.
What are the key properties of trans-(1R,3R)-3-benzyl-N-[(2S)-3-oxobutan-2-yl]cyclopentane-1-carboxamide?
trans-(1R,3R)-3-benzyl-N-[(2S)-3-oxobutan-2-yl]cyclopentane-1-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-benzyl-N-[(2S)-3-oxobutan-2-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 157423820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).