benzene;ethane;N-ethylacetamide;N-methylpropanamide;propane

C35H62N2O2 — CID 162143975

IUPACbenzene;ethane;N-ethylacetamide;N-methylpropanamide;propane
SMILESCC.CC.CC.CCC.CCC(=O)NC.CCNC(C)=O.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/3C6H6.2C4H9NO.C3H8.3C2H6/c3*1-2-4-6-5-3-1;1-3-4(6)5-2;1-3-5-4(2)6;1-3-2;3*1-2/h3*1-6H;2*3H2,1-2H3,(H,5,6);3H2,1-2H3;3*1-2H3
InChIKeyZKHMHUHWGBXKDI-UHFFFAOYSA-N
MW542.89 g/mol
LogP9.84
Rot. Bonds2

About benzene;ethane;N-ethylacetamide;N-methylpropanamide;propane

benzene;ethane;N-ethylacetamide;N-methylpropanamide;propane (PubChem CID 162143975) has the molecular formula C35H62N2O2 and a molecular weight of 542.89 g/mol. Its IUPAC name is benzene;ethane;N-ethylacetamide;N-methylpropanamide;propane.

Molecular Properties

Compound Namebenzene;ethane;N-ethylacetamide;N-methylpropanamide;propane
PubChem CID162143975
Molecular FormulaC35H62N2O2
Molecular Weight542.89 g/mol
Exact Mass542.48
IUPAC Namebenzene;ethane;N-ethylacetamide;N-methylpropanamide;propane
SMILESCC.CC.CC.CCC.CCC(=O)NC.CCNC(C)=O.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/3C6H6.2C4H9NO.C3H8.3C2H6/c3*1-2-4-6-5-3-1;1-3-4(6)5-2;1-3-5-4(2)6;1-3-2;3*1-2/h3*1-6H;2*3H2,1-2H3,(H,5,6);3H2,1-2H3;3*1-2H3
InChIKeyZKHMHUHWGBXKDI-UHFFFAOYSA-N
XLogP9.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.89
LogP ≤ 59.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze benzene;ethane;N-ethylacetamide;N-methylpropanamide;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

N-(tert-butylcarbonylglycylaminoethyl)-N-(ethyl)ammonium tetraphenylborate
CID 129263
(2,2-Dimethylpropanoylamino)methyl-triphenylphosphanium
CID 4061676
2-[bromo(triphenyl)-lambda5-arsanyl]-N-(2-methylpropyl)acetamide
CID 14188009
Triphenylantimony bis(butylcarbamate)
CID 16686392
1-(2,2-Dimethylpropanoylamino)ethyl-triphenylphosphanium
CID 46933855
{2-[(2-Methylpropyl)amino]-2-oxoethyl}(triphenyl)arsanium bromide
CID 71339677
N-(3-triphenylstannylpropyl)acetamide
CID 313428
[2-(2-Methylpropylamino)-2-oxoethyl]-triphenylphosphanium chloride
CID 10993311
2-[chloro(triphenyl)-lambda5-phosphanyl]-N-(2-methylpropyl)acetamide
CID 12917275
(N-n-Butylcarbamoyl)methyltriphenylphosphonium Chloride
CID 19603925
N-propan-2-yl-2-(triphenyl-lambda5-phosphanylidene)acetamide
CID 19906175
N-propyl-2-(triphenyl-lambda5-phosphanylidene)acetamide
CID 19906205

Frequently Asked Questions

What is the IUPAC name of benzene;ethane;N-ethylacetamide;N-methylpropanamide;propane?
The IUPAC name of benzene;ethane;N-ethylacetamide;N-methylpropanamide;propane (CID 162143975) is benzene;ethane;N-ethylacetamide;N-methylpropanamide;propane.
What is the SMILES notation for benzene;ethane;N-ethylacetamide;N-methylpropanamide;propane?
The canonical SMILES for benzene;ethane;N-ethylacetamide;N-methylpropanamide;propane is CC.CC.CC.CCC.CCC(=O)NC.CCNC(C)=O.c1ccccc1.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;ethane;N-ethylacetamide;N-methylpropanamide;propane?
The InChIKey is ZKHMHUHWGBXKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H6.2C4H9NO.C3H8.3C2H6/c3*1-2-4-6-5-3-1;1-3-4(6)5-2;1-3-5-4(2)6;1-3-2;3*1-2/h3*1-6H;2*3H2,1-2H3,(H,5,6);3H2,1-2H3;3*1-2H3.
What are the key properties of benzene;ethane;N-ethylacetamide;N-methylpropanamide;propane?
benzene;ethane;N-ethylacetamide;N-methylpropanamide;propane has a molecular weight of 542.89 g/mol, XLogP of 9.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;N-ethylacetamide;N-methylpropanamide;propane is sourced from PubChem (CID 162143975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).