ethane;formamide;1-methyl-4-propylbenzene

C13H23NO — CID 143471754

IUPACethane;formamide;1-methyl-4-propylbenzene
SMILESCC.CCCc1ccc(C)cc1.NC=O
InChIInChI=1S/C10H14.C2H6.CH3NO/c1-3-4-10-7-5-9(2)6-8-10;1-2;2-1-3/h5-8H,3-4H2,1-2H3;1-2H3;1H,(H2,2,3)
InChIKeyDATGNYLOLCPDTE-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.08
Rot. Bonds2

About ethane;formamide;1-methyl-4-propylbenzene

ethane;formamide;1-methyl-4-propylbenzene (PubChem CID 143471754) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is ethane;formamide;1-methyl-4-propylbenzene.

Molecular Properties

Compound Nameethane;formamide;1-methyl-4-propylbenzene
PubChem CID143471754
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Nameethane;formamide;1-methyl-4-propylbenzene
SMILESCC.CCCc1ccc(C)cc1.NC=O
InChIInChI=1S/C10H14.C2H6.CH3NO/c1-3-4-10-7-5-9(2)6-8-10;1-2;2-1-3/h5-8H,3-4H2,1-2H3;1-2H3;1H,(H2,2,3)
InChIKeyDATGNYLOLCPDTE-UHFFFAOYSA-N
XLogP3.08
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

butane;ethane;1-methyl-4-propylbenzene;propane
CID 142050311
ethane;2-methylpropane;1-methyl-4-propylbenzene
CID 142174844
1-methyl-4-propylbenzene;molecular fluorine
CID 167533310
1-methyl-4-(4-propylphenyl)benzene
CID 157416879
1-methyl-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene
CID 140875006
1-methyl-4-propylbenzene;trifluoroalumane
CID 174704537
1-butyl-4-methylbenzene;formic acid
CID 177221373
1-methyl-4-phenylbenzene;1-phenyl-4-propylbenzene
CID 143481088
ethoxyethane;formaldehyde;1-methyl-4-propylbenzene;propane
CID 143083964
1-butyl-4-methylbenzene;1-ethyl-4-methylbenzene;1-methyl-4-propylbenzene
CID 159106327
1-methyl-4-[2-[4-[2-(4-propylphenyl)ethyl]phenyl]ethynyl]benzene
CID 139767054
3-[4-(4-methylphenyl)phenyl]propanal
CID 145376842

Frequently Asked Questions

What is the IUPAC name of ethane;formamide;1-methyl-4-propylbenzene?
The IUPAC name of ethane;formamide;1-methyl-4-propylbenzene (CID 143471754) is ethane;formamide;1-methyl-4-propylbenzene.
What is the SMILES notation for ethane;formamide;1-methyl-4-propylbenzene?
The canonical SMILES for ethane;formamide;1-methyl-4-propylbenzene is CC.CCCc1ccc(C)cc1.NC=O.
What is the InChIKey of ethane;formamide;1-methyl-4-propylbenzene?
The InChIKey is DATGNYLOLCPDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C2H6.CH3NO/c1-3-4-10-7-5-9(2)6-8-10;1-2;2-1-3/h5-8H,3-4H2,1-2H3;1-2H3;1H,(H2,2,3).
What are the key properties of ethane;formamide;1-methyl-4-propylbenzene?
ethane;formamide;1-methyl-4-propylbenzene has a molecular weight of 209.33 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;formamide;1-methyl-4-propylbenzene is sourced from PubChem (CID 143471754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).