acetamide;propylbenzene

C11H17NO — CID 142238516

IUPACacetamide;propylbenzene
SMILESCC(N)=O.CCCc1ccccc1
InChIInChI=1S/C9H12.C2H5NO/c1-2-6-9-7-4-3-5-8-9;1-2(3)4/h3-5,7-8H,2,6H2,1H3;1H3,(H2,3,4)
InChIKeyZCQAUUDOJPZPQT-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.13
Rot. Bonds2

About acetamide;propylbenzene

acetamide;propylbenzene (PubChem CID 142238516) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is acetamide;propylbenzene.

Molecular Properties

Compound Nameacetamide;propylbenzene
PubChem CID142238516
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Nameacetamide;propylbenzene
SMILESCC(N)=O.CCCc1ccccc1
InChIInChI=1S/C9H12.C2H5NO/c1-2-6-9-7-4-3-5-8-9;1-2(3)4/h3-5,7-8H,2,6H2,1H3;1H3,(H2,3,4)
InChIKeyZCQAUUDOJPZPQT-UHFFFAOYSA-N
XLogP2.13
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 23321652
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CID 70024036
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CID 174749122
phenol;propylbenzene
CID 18469730
butylbenzene;carbonic acid
CID 158278492
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CID 87313673
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CID 143242771
butylbenzene;propylbenzene
CID 142022125
lithium;ethyne;propylbenzene
CID 174833014
carbanide;ethane;lanthanum;propane;propylbenzene
CID 161064679
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CID 153343160

Frequently Asked Questions

What is the IUPAC name of acetamide;propylbenzene?
The IUPAC name of acetamide;propylbenzene (CID 142238516) is acetamide;propylbenzene.
What is the SMILES notation for acetamide;propylbenzene?
The canonical SMILES for acetamide;propylbenzene is CC(N)=O.CCCc1ccccc1.
What is the InChIKey of acetamide;propylbenzene?
The InChIKey is ZCQAUUDOJPZPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C2H5NO/c1-2-6-9-7-4-3-5-8-9;1-2(3)4/h3-5,7-8H,2,6H2,1H3;1H3,(H2,3,4).
What are the key properties of acetamide;propylbenzene?
acetamide;propylbenzene has a molecular weight of 179.26 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;propylbenzene is sourced from PubChem (CID 142238516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).