oxolan-2-yl-[4-[(E)-2-phenylpent-2-enyl]-1,4-diazepan-1-yl]methanone

C21H30N2O2 — CID 138385577

IUPACoxolan-2-yl-[4-[(E)-2-phenylpent-2-enyl]-1,4-diazepan-1-yl]methanone
SMILESCC/C=C(/CN1CCCN(C(=O)C2CCCO2)CC1)c1ccccc1
InChIInChI=1S/C21H30N2O2/c1-2-8-19(18-9-4-3-5-10-18)17-22-12-7-13-23(15-14-22)21(24)20-11-6-16-25-20/h3-5,8-10,20H,2,6-7,11-17H2,1H3/b19-8-
InChIKeyMLHZYZDETVMKCS-UWVJOHFNSA-N
MW342.48 g/mol
LogP3.19
Rot. Bonds5

About oxolan-2-yl-[4-[(E)-2-phenylpent-2-enyl]-1,4-diazepan-1-yl]methanone

oxolan-2-yl-[4-[(E)-2-phenylpent-2-enyl]-1,4-diazepan-1-yl]methanone (PubChem CID 138385577) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is oxolan-2-yl-[4-[(E)-2-phenylpent-2-enyl]-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Nameoxolan-2-yl-[4-[(E)-2-phenylpent-2-enyl]-1,4-diazepan-1-yl]methanone
PubChem CID138385577
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Nameoxolan-2-yl-[4-[(E)-2-phenylpent-2-enyl]-1,4-diazepan-1-yl]methanone
SMILESCC/C=C(/CN1CCCN(C(=O)C2CCCO2)CC1)c1ccccc1
InChIInChI=1S/C21H30N2O2/c1-2-8-19(18-9-4-3-5-10-18)17-22-12-7-13-23(15-14-22)21(24)20-11-6-16-25-20/h3-5,8-10,20H,2,6-7,11-17H2,1H3/b19-8-
InChIKeyMLHZYZDETVMKCS-UWVJOHFNSA-N
XLogP3.19
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

oxolan-2-yl-[4-[(2-phenylphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 134704589
1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 110797536
N-[(2-methoxyphenyl)methyl]-2-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 50973366
N-[2-oxo-2-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]ethyl]benzamide
CID 110807089
[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 2077821
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 63308795
2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide
CID 40642009
[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 134046835
N-(3-acetylphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 22197270
2-[[4-(oxolane-2-carbonyl)piperazin-1-yl]methyl]benzonitrile
CID 51172922
[4-[(1-ethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 95323209
N-(1H-benzimidazol-2-yl)-2-[4-[(2S)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]acetamide
CID 95215210

Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl-[4-[(E)-2-phenylpent-2-enyl]-1,4-diazepan-1-yl]methanone?
The IUPAC name of oxolan-2-yl-[4-[(E)-2-phenylpent-2-enyl]-1,4-diazepan-1-yl]methanone (CID 138385577) is oxolan-2-yl-[4-[(E)-2-phenylpent-2-enyl]-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for oxolan-2-yl-[4-[(E)-2-phenylpent-2-enyl]-1,4-diazepan-1-yl]methanone?
The canonical SMILES for oxolan-2-yl-[4-[(E)-2-phenylpent-2-enyl]-1,4-diazepan-1-yl]methanone is CC/C=C(/CN1CCCN(C(=O)C2CCCO2)CC1)c1ccccc1.
What is the InChIKey of oxolan-2-yl-[4-[(E)-2-phenylpent-2-enyl]-1,4-diazepan-1-yl]methanone?
The InChIKey is MLHZYZDETVMKCS-UWVJOHFNSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-2-8-19(18-9-4-3-5-10-18)17-22-12-7-13-23(15-14-22)21(24)20-11-6-16-25-20/h3-5,8-10,20H,2,6-7,11-17H2,1H3/b19-8-.
What are the key properties of oxolan-2-yl-[4-[(E)-2-phenylpent-2-enyl]-1,4-diazepan-1-yl]methanone?
oxolan-2-yl-[4-[(E)-2-phenylpent-2-enyl]-1,4-diazepan-1-yl]methanone has a molecular weight of 342.48 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl-[4-[(E)-2-phenylpent-2-enyl]-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 138385577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).