1-ethyl-4-methylbenzene;methane;N-methylacetamide;N-methylmethanamine;propane

C19H42N2O — CID 160814410

IUPAC1-ethyl-4-methylbenzene;methane;N-methylacetamide;N-methylmethanamine;propane
SMILESC.C.CCC.CCc1ccc(C)cc1.CNC.CNC(C)=O
InChIInChI=1S/C9H12.C3H7NO.C3H8.C2H7N.2CH4/c1-3-9-6-4-8(2)5-7-9;1-3(5)4-2;2*1-3-2;;/h4-7H,3H2,1-2H3;1-2H3,(H,4,5);3H2,1-2H3;3H,1-2H3;2*1H4
InChIKeySESHSNBFNAKYJC-UHFFFAOYSA-N
MW314.56 g/mol
LogP4.83
Rot. Bonds1

About 1-ethyl-4-methylbenzene;methane;N-methylacetamide;N-methylmethanamine;propane

1-ethyl-4-methylbenzene;methane;N-methylacetamide;N-methylmethanamine;propane (PubChem CID 160814410) has the molecular formula C19H42N2O and a molecular weight of 314.56 g/mol. Its IUPAC name is 1-ethyl-4-methylbenzene;methane;N-methylacetamide;N-methylmethanamine;propane.

Molecular Properties

Compound Name1-ethyl-4-methylbenzene;methane;N-methylacetamide;N-methylmethanamine;propane
PubChem CID160814410
Molecular FormulaC19H42N2O
Molecular Weight314.56 g/mol
Exact Mass314.33
IUPAC Name1-ethyl-4-methylbenzene;methane;N-methylacetamide;N-methylmethanamine;propane
SMILESC.C.CCC.CCc1ccc(C)cc1.CNC.CNC(C)=O
InChIInChI=1S/C9H12.C3H7NO.C3H8.C2H7N.2CH4/c1-3-9-6-4-8(2)5-7-9;1-3(5)4-2;2*1-3-2;;/h4-7H,3H2,1-2H3;1-2H3,(H,4,5);3H2,1-2H3;3H,1-2H3;2*1H4
InChIKeySESHSNBFNAKYJC-UHFFFAOYSA-N
XLogP4.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.56
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-4-methylbenzene;propane
CID 144580802
1-[(4-ethylphenyl)methyl]-4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]benzene
CID 23525828
1-(4-ethylphenyl)-3-(4-methylphenyl)propan-2-one
CID 55061865
bis(1-ethyl-4-methylbenzene);hydrate
CID 175281588
methane;1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene
CID 162237370
2-(4-ethylphenyl)-N-methylacetamide
CID 56921087
ethylbenzene;1-ethyl-4-methylbenzene;propane
CID 160625021
1-ethyl-4-methylbenzene;hydroxy(methyl)silane
CID 160772634
ethane;1-ethyl-4-methylbenzene;fluoromethane
CID 142146910
1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene
CID 161043198
butane;1-ethyl-4-methylbenzene;methane;2-methylpropane
CID 160516837
4-ethylaniline;methane;4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]aniline
CID 157414016

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methylbenzene;methane;N-methylacetamide;N-methylmethanamine;propane?
The IUPAC name of 1-ethyl-4-methylbenzene;methane;N-methylacetamide;N-methylmethanamine;propane (CID 160814410) is 1-ethyl-4-methylbenzene;methane;N-methylacetamide;N-methylmethanamine;propane.
What is the SMILES notation for 1-ethyl-4-methylbenzene;methane;N-methylacetamide;N-methylmethanamine;propane?
The canonical SMILES for 1-ethyl-4-methylbenzene;methane;N-methylacetamide;N-methylmethanamine;propane is C.C.CCC.CCc1ccc(C)cc1.CNC.CNC(C)=O.
What is the InChIKey of 1-ethyl-4-methylbenzene;methane;N-methylacetamide;N-methylmethanamine;propane?
The InChIKey is SESHSNBFNAKYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C3H7NO.C3H8.C2H7N.2CH4/c1-3-9-6-4-8(2)5-7-9;1-3(5)4-2;2*1-3-2;;/h4-7H,3H2,1-2H3;1-2H3,(H,4,5);3H2,1-2H3;3H,1-2H3;2*1H4.
What are the key properties of 1-ethyl-4-methylbenzene;methane;N-methylacetamide;N-methylmethanamine;propane?
1-ethyl-4-methylbenzene;methane;N-methylacetamide;N-methylmethanamine;propane has a molecular weight of 314.56 g/mol, XLogP of 4.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methylbenzene;methane;N-methylacetamide;N-methylmethanamine;propane is sourced from PubChem (CID 160814410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).