benzene;N-ethylacetamide;propane

C13H23NO — CID 123217634

IUPACbenzene;N-ethylacetamide;propane
SMILESCCC.CCNC(C)=O.c1ccccc1
InChIInChI=1S/C6H6.C4H9NO.C3H8/c1-2-4-6-5-3-1;1-3-5-4(2)6;1-3-2/h1-6H;3H2,1-2H3,(H,5,6);3H2,1-2H3
InChIKeyPJOTVYBGVXWXDY-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.25
Rot. Bonds1

About benzene;N-ethylacetamide;propane

benzene;N-ethylacetamide;propane (PubChem CID 123217634) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is benzene;N-ethylacetamide;propane.

Molecular Properties

Compound Namebenzene;N-ethylacetamide;propane
PubChem CID123217634
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Namebenzene;N-ethylacetamide;propane
SMILESCCC.CCNC(C)=O.c1ccccc1
InChIInChI=1S/C6H6.C4H9NO.C3H8/c1-2-4-6-5-3-1;1-3-5-4(2)6;1-3-2/h1-6H;3H2,1-2H3,(H,5,6);3H2,1-2H3
InChIKeyPJOTVYBGVXWXDY-UHFFFAOYSA-N
XLogP3.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze benzene;N-ethylacetamide;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzene;ethane;N-ethylacetamide
CID 90871799
CID 88764909
CID 88764909
N-ethylacetamide;hydrochloride
CID 87177071
N,N-diethylethanamine;N-ethylacetamide
CID 174959939
benzene;methoxymethane;methyl acetate;propane
CID 158395131
N-[2-(ethylamino)ethyl]acetamide;propane
CID 159314545
ethylcarbamic acid;yttrium
CID 147921444
N-ethylbenzamide
CID 160772566
ethylcarbamic acid;molecular hydrogen
CID 142924584
N-benzylacetamide;ethanamine
CID 22257034
N-ethylacetamide;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne
CID 167639948
butane-2-sulfonic acid;ethane;N-ethylacetamide
CID 144515848

Frequently Asked Questions

What is the IUPAC name of benzene;N-ethylacetamide;propane?
The IUPAC name of benzene;N-ethylacetamide;propane (CID 123217634) is benzene;N-ethylacetamide;propane.
What is the SMILES notation for benzene;N-ethylacetamide;propane?
The canonical SMILES for benzene;N-ethylacetamide;propane is CCC.CCNC(C)=O.c1ccccc1.
What is the InChIKey of benzene;N-ethylacetamide;propane?
The InChIKey is PJOTVYBGVXWXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C4H9NO.C3H8/c1-2-4-6-5-3-1;1-3-5-4(2)6;1-3-2/h1-6H;3H2,1-2H3,(H,5,6);3H2,1-2H3.
What are the key properties of benzene;N-ethylacetamide;propane?
benzene;N-ethylacetamide;propane has a molecular weight of 209.33 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;N-ethylacetamide;propane is sourced from PubChem (CID 123217634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).