benzene;ethane;N-ethylpropanamide;methane;N-methylethanamine;propane

C30H62N2O — CID 159374251

IUPACbenzene;ethane;N-ethylpropanamide;methane;N-methylethanamine;propane
SMILESC.C.CC.CCC.CCC.CCNC.CCNC(=O)CC.c1ccccc1.c1ccccc1
InChIInChI=1S/2C6H6.C5H11NO.C3H9N.2C3H8.C2H6.2CH4/c2*1-2-4-6-5-3-1;1-3-5(7)6-4-2;1-3-4-2;2*1-3-2;1-2;;/h2*1-6H;3-4H2,1-2H3,(H,6,7);4H,3H2,1-2H3;2*3H2,1-2H3;1-2H3;2*1H4
InChIKeyLKCNMDPZOCQNAA-UHFFFAOYSA-N
MW466.84 g/mol
LogP9.26
Rot. Bonds3

About benzene;ethane;N-ethylpropanamide;methane;N-methylethanamine;propane

benzene;ethane;N-ethylpropanamide;methane;N-methylethanamine;propane (PubChem CID 159374251) has the molecular formula C30H62N2O and a molecular weight of 466.84 g/mol. Its IUPAC name is benzene;ethane;N-ethylpropanamide;methane;N-methylethanamine;propane.

Molecular Properties

Compound Namebenzene;ethane;N-ethylpropanamide;methane;N-methylethanamine;propane
PubChem CID159374251
Molecular FormulaC30H62N2O
Molecular Weight466.84 g/mol
Exact Mass466.49
IUPAC Namebenzene;ethane;N-ethylpropanamide;methane;N-methylethanamine;propane
SMILESC.C.CC.CCC.CCC.CCNC.CCNC(=O)CC.c1ccccc1.c1ccccc1
InChIInChI=1S/2C6H6.C5H11NO.C3H9N.2C3H8.C2H6.2CH4/c2*1-2-4-6-5-3-1;1-3-5(7)6-4-2;1-3-4-2;2*1-3-2;1-2;;/h2*1-6H;3-4H2,1-2H3,(H,6,7);4H,3H2,1-2H3;2*3H2,1-2H3;1-2H3;2*1H4
InChIKeyLKCNMDPZOCQNAA-UHFFFAOYSA-N
XLogP9.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.84
LogP ≤ 59.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzene;ethane;N-ethylpropanamide;methane;N-methylethanamine;propane?
The IUPAC name of benzene;ethane;N-ethylpropanamide;methane;N-methylethanamine;propane (CID 159374251) is benzene;ethane;N-ethylpropanamide;methane;N-methylethanamine;propane.
What is the SMILES notation for benzene;ethane;N-ethylpropanamide;methane;N-methylethanamine;propane?
The canonical SMILES for benzene;ethane;N-ethylpropanamide;methane;N-methylethanamine;propane is C.C.CC.CCC.CCC.CCNC.CCNC(=O)CC.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;ethane;N-ethylpropanamide;methane;N-methylethanamine;propane?
The InChIKey is LKCNMDPZOCQNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6.C5H11NO.C3H9N.2C3H8.C2H6.2CH4/c2*1-2-4-6-5-3-1;1-3-5(7)6-4-2;1-3-4-2;2*1-3-2;1-2;;/h2*1-6H;3-4H2,1-2H3,(H,6,7);4H,3H2,1-2H3;2*3H2,1-2H3;1-2H3;2*1H4.
What are the key properties of benzene;ethane;N-ethylpropanamide;methane;N-methylethanamine;propane?
benzene;ethane;N-ethylpropanamide;methane;N-methylethanamine;propane has a molecular weight of 466.84 g/mol, XLogP of 9.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;N-ethylpropanamide;methane;N-methylethanamine;propane is sourced from PubChem (CID 159374251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).