N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-5-oxo-5-phenylpentanamide

C19H25NO2 — CID 70745414

IUPACN-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-5-oxo-5-phenylpentanamide
SMILESO=C(CCCC(=O)c1ccccc1)N[C@H]1CC[C@@H]2CCC[C@@H]21
InChIInChI=1S/C19H25NO2/c21-18(15-6-2-1-3-7-15)10-5-11-19(22)20-17-13-12-14-8-4-9-16(14)17/h1-3,6-7,14,16-17H,4-5,8-13H2,(H,20,22)/t14-,16-,17-/m0/s1
InChIKeyLYYUZNNSHJTWRG-XIRDDKMYSA-N
MW299.41 g/mol
LogP3.73
Rot. Bonds6

About N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-5-oxo-5-phenylpentanamide

N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-5-oxo-5-phenylpentanamide (PubChem CID 70745414) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-5-oxo-5-phenylpentanamide.

Molecular Properties

Compound NameN-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-5-oxo-5-phenylpentanamide
PubChem CID70745414
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC NameN-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-5-oxo-5-phenylpentanamide
SMILESO=C(CCCC(=O)c1ccccc1)N[C@H]1CC[C@@H]2CCC[C@@H]21
InChIInChI=1S/C19H25NO2/c21-18(15-6-2-1-3-7-15)10-5-11-19(22)20-17-13-12-14-8-4-9-16(14)17/h1-3,6-7,14,16-17H,4-5,8-13H2,(H,20,22)/t14-,16-,17-/m0/s1
InChIKeyLYYUZNNSHJTWRG-XIRDDKMYSA-N
XLogP3.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclooctyl-5-oxo-5-phenylpentanamide
CID 20969095
5-oxo-N-(oxolan-3-yl)-5-phenylpentanamide
CID 86287240
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CID 51165973
N-[3-(cyclopentylamino)-3-oxopropyl]-4-oxo-4-phenylbutanamide
CID 26721985
N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-5-oxo-5-phenylpentanamide
CID 110606015
5-oxo-5-phenyl-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]pentanamide
CID 131905750
N-[4-(cyclopropanecarbonyl)phenyl]-5-oxo-5-phenylpentanamide
CID 110425861
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-oxo-5-phenylpentanamide
CID 108807587
1,15-diphenylpentadecane-1,15-dione
CID 159981687
3-[(5-oxo-5-phenylpentanoyl)amino]propanoic acid
CID 108796142
(3R,3aR,8aS)-3-(3-oxo-3-phenylpropyl)-2,3,3a,4,6,7,8,8a-octahydro-1H-azulen-5-one
CID 10945999
N-(1-benzylpiperidin-4-yl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 55913747

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-5-oxo-5-phenylpentanamide?
The IUPAC name of N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-5-oxo-5-phenylpentanamide (CID 70745414) is N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-5-oxo-5-phenylpentanamide.
What is the SMILES notation for N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-5-oxo-5-phenylpentanamide?
The canonical SMILES for N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-5-oxo-5-phenylpentanamide is O=C(CCCC(=O)c1ccccc1)N[C@H]1CC[C@@H]2CCC[C@@H]21.
What is the InChIKey of N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-5-oxo-5-phenylpentanamide?
The InChIKey is LYYUZNNSHJTWRG-XIRDDKMYSA-N. The full InChI is InChI=1S/C19H25NO2/c21-18(15-6-2-1-3-7-15)10-5-11-19(22)20-17-13-12-14-8-4-9-16(14)17/h1-3,6-7,14,16-17H,4-5,8-13H2,(H,20,22)/t14-,16-,17-/m0/s1.
What are the key properties of N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-5-oxo-5-phenylpentanamide?
N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-5-oxo-5-phenylpentanamide has a molecular weight of 299.41 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-5-oxo-5-phenylpentanamide is sourced from PubChem (CID 70745414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).