ethane;methanol;N-[2-[4-methyl-2-[methyl(3-methylbutan-2-yl)amino]phenyl]ethyl]formamide

C19H36N2O2 — CID 177178478

IUPACethane;methanol;N-[2-[4-methyl-2-[methyl(3-methylbutan-2-yl)amino]phenyl]ethyl]formamide
SMILESCC.CO.Cc1ccc(CCNC=O)c(N(C)C(C)C(C)C)c1
InChIInChI=1S/C16H26N2O.C2H6.CH4O/c1-12(2)14(4)18(5)16-10-13(3)6-7-15(16)8-9-17-11-19;2*1-2/h6-7,10-12,14H,8-9H2,1-5H3,(H,17,19);1-2H3;2H,1H3
InChIKeyZBSJXGVDHSUPRG-UHFFFAOYSA-N
MW324.51 g/mol
LogP3.40
Rot. Bonds7

About ethane;methanol;N-[2-[4-methyl-2-[methyl(3-methylbutan-2-yl)amino]phenyl]ethyl]formamide

ethane;methanol;N-[2-[4-methyl-2-[methyl(3-methylbutan-2-yl)amino]phenyl]ethyl]formamide (PubChem CID 177178478) has the molecular formula C19H36N2O2 and a molecular weight of 324.51 g/mol. Its IUPAC name is ethane;methanol;N-[2-[4-methyl-2-[methyl(3-methylbutan-2-yl)amino]phenyl]ethyl]formamide.

Molecular Properties

Compound Nameethane;methanol;N-[2-[4-methyl-2-[methyl(3-methylbutan-2-yl)amino]phenyl]ethyl]formamide
PubChem CID177178478
Molecular FormulaC19H36N2O2
Molecular Weight324.51 g/mol
Exact Mass324.28
IUPAC Nameethane;methanol;N-[2-[4-methyl-2-[methyl(3-methylbutan-2-yl)amino]phenyl]ethyl]formamide
SMILESCC.CO.Cc1ccc(CCNC=O)c(N(C)C(C)C(C)C)c1
InChIInChI=1S/C16H26N2O.C2H6.CH4O/c1-12(2)14(4)18(5)16-10-13(3)6-7-15(16)8-9-17-11-19;2*1-2/h6-7,10-12,14H,8-9H2,1-5H3,(H,17,19);1-2H3;2H,1H3
InChIKeyZBSJXGVDHSUPRG-UHFFFAOYSA-N
XLogP3.40
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;methanol;N-[2-[4-methyl-2-[methyl(3-methylbutan-2-yl)amino]phenyl]ethyl]formamide?
The IUPAC name of ethane;methanol;N-[2-[4-methyl-2-[methyl(3-methylbutan-2-yl)amino]phenyl]ethyl]formamide (CID 177178478) is ethane;methanol;N-[2-[4-methyl-2-[methyl(3-methylbutan-2-yl)amino]phenyl]ethyl]formamide.
What is the SMILES notation for ethane;methanol;N-[2-[4-methyl-2-[methyl(3-methylbutan-2-yl)amino]phenyl]ethyl]formamide?
The canonical SMILES for ethane;methanol;N-[2-[4-methyl-2-[methyl(3-methylbutan-2-yl)amino]phenyl]ethyl]formamide is CC.CO.Cc1ccc(CCNC=O)c(N(C)C(C)C(C)C)c1.
What is the InChIKey of ethane;methanol;N-[2-[4-methyl-2-[methyl(3-methylbutan-2-yl)amino]phenyl]ethyl]formamide?
The InChIKey is ZBSJXGVDHSUPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.C2H6.CH4O/c1-12(2)14(4)18(5)16-10-13(3)6-7-15(16)8-9-17-11-19;2*1-2/h6-7,10-12,14H,8-9H2,1-5H3,(H,17,19);1-2H3;2H,1H3.
What are the key properties of ethane;methanol;N-[2-[4-methyl-2-[methyl(3-methylbutan-2-yl)amino]phenyl]ethyl]formamide?
ethane;methanol;N-[2-[4-methyl-2-[methyl(3-methylbutan-2-yl)amino]phenyl]ethyl]formamide has a molecular weight of 324.51 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanol;N-[2-[4-methyl-2-[methyl(3-methylbutan-2-yl)amino]phenyl]ethyl]formamide is sourced from PubChem (CID 177178478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).