acetamide;acetylene;(2S)-2-benzyloxolane;ethane

C17H27NO2 — CID 144598785

IUPACacetamide;acetylene;(2S)-2-benzyloxolane;ethane
SMILESC#C.CC.CC(N)=O.c1ccc(C[C@@H]2CCCO2)cc1
InChIInChI=1S/C11H14O.C2H5NO.C2H6.C2H2/c1-2-5-10(6-3-1)9-11-7-4-8-12-11;1-2(3)4;2*1-2/h1-3,5-6,11H,4,7-9H2;1H3,(H2,3,4);1-2H3;1-2H/t11-;;;/m0.../s1
InChIKeyIYFQPBXPOFZCTJ-XVSRHIFFSA-N
MW277.41 g/mol
LogP3.18
Rot. Bonds2

About acetamide;acetylene;(2S)-2-benzyloxolane;ethane

acetamide;acetylene;(2S)-2-benzyloxolane;ethane (PubChem CID 144598785) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is acetamide;acetylene;(2S)-2-benzyloxolane;ethane.

Molecular Properties

Compound Nameacetamide;acetylene;(2S)-2-benzyloxolane;ethane
PubChem CID144598785
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Nameacetamide;acetylene;(2S)-2-benzyloxolane;ethane
SMILESC#C.CC.CC(N)=O.c1ccc(C[C@@H]2CCCO2)cc1
InChIInChI=1S/C11H14O.C2H5NO.C2H6.C2H2/c1-2-5-10(6-3-1)9-11-7-4-8-12-11;1-2(3)4;2*1-2/h1-3,5-6,11H,4,7-9H2;1H3,(H2,3,4);1-2H3;1-2H/t11-;;;/m0.../s1
InChIKeyIYFQPBXPOFZCTJ-XVSRHIFFSA-N
XLogP3.18
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-benzyloxepane
CID 14272917
[4-(oxolan-2-ylmethyl)phenyl]methanamine
CID 174382096
N'-benzyl-N-(oxolan-2-ylmethyl)oxamide
CID 21211581
2-benzyl-3-(oxolan-2-yl)propanoic acid
CID 44719068
(2S)-2-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide
CID 119302482
(2S)-2-amino-N-[2-(oxolan-2-yl)ethyl]-4-phenylbutanamide
CID 104984102
(2-benzyloxan-3-yl)methanamine
CID 79367759
2-[(3-methoxyphenyl)methyl]oxolane
CID 10607780
3-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide;hydrochloride
CID 119302483
3-phenylpropyl 3-(oxolan-2-yl)propanoate
CID 78859306
4-[benzyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 129467722
N-benzyl-N-methyl-2-(oxan-2-yl)acetamide
CID 110409576

Frequently Asked Questions

What is the IUPAC name of acetamide;acetylene;(2S)-2-benzyloxolane;ethane?
The IUPAC name of acetamide;acetylene;(2S)-2-benzyloxolane;ethane (CID 144598785) is acetamide;acetylene;(2S)-2-benzyloxolane;ethane.
What is the SMILES notation for acetamide;acetylene;(2S)-2-benzyloxolane;ethane?
The canonical SMILES for acetamide;acetylene;(2S)-2-benzyloxolane;ethane is C#C.CC.CC(N)=O.c1ccc(C[C@@H]2CCCO2)cc1.
What is the InChIKey of acetamide;acetylene;(2S)-2-benzyloxolane;ethane?
The InChIKey is IYFQPBXPOFZCTJ-XVSRHIFFSA-N. The full InChI is InChI=1S/C11H14O.C2H5NO.C2H6.C2H2/c1-2-5-10(6-3-1)9-11-7-4-8-12-11;1-2(3)4;2*1-2/h1-3,5-6,11H,4,7-9H2;1H3,(H2,3,4);1-2H3;1-2H/t11-;;;/m0.../s1.
What are the key properties of acetamide;acetylene;(2S)-2-benzyloxolane;ethane?
acetamide;acetylene;(2S)-2-benzyloxolane;ethane has a molecular weight of 277.41 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;acetylene;(2S)-2-benzyloxolane;ethane is sourced from PubChem (CID 144598785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).