ethane;(4-methylphenyl)methyl N-methyl-N-[2-[methyl(propanoyl)amino]ethyl]carbamate

C20H36N2O3 — CID 178047000

IUPACethane;(4-methylphenyl)methyl N-methyl-N-[2-[methyl(propanoyl)amino]ethyl]carbamate
SMILESCC.CC.CCC(=O)N(C)CCN(C)C(=O)OCc1ccc(C)cc1
InChIInChI=1S/C16H24N2O3.2C2H6/c1-5-15(19)17(3)10-11-18(4)16(20)21-12-14-8-6-13(2)7-9-14;2*1-2/h6-9H,5,10-12H2,1-4H3;2*1-2H3
InChIKeyWVFZQTKJOFXACR-UHFFFAOYSA-N
MW352.52 g/mol
LogP4.48
Rot. Bonds6

About ethane;(4-methylphenyl)methyl N-methyl-N-[2-[methyl(propanoyl)amino]ethyl]carbamate

ethane;(4-methylphenyl)methyl N-methyl-N-[2-[methyl(propanoyl)amino]ethyl]carbamate (PubChem CID 178047000) has the molecular formula C20H36N2O3 and a molecular weight of 352.52 g/mol. Its IUPAC name is ethane;(4-methylphenyl)methyl N-methyl-N-[2-[methyl(propanoyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nameethane;(4-methylphenyl)methyl N-methyl-N-[2-[methyl(propanoyl)amino]ethyl]carbamate
PubChem CID178047000
Molecular FormulaC20H36N2O3
Molecular Weight352.52 g/mol
Exact Mass352.27
IUPAC Nameethane;(4-methylphenyl)methyl N-methyl-N-[2-[methyl(propanoyl)amino]ethyl]carbamate
SMILESCC.CC.CCC(=O)N(C)CCN(C)C(=O)OCc1ccc(C)cc1
InChIInChI=1S/C16H24N2O3.2C2H6/c1-5-15(19)17(3)10-11-18(4)16(20)21-12-14-8-6-13(2)7-9-14;2*1-2/h6-9H,5,10-12H2,1-4H3;2*1-2H3
InChIKeyWVFZQTKJOFXACR-UHFFFAOYSA-N
XLogP4.48
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;(4-methylphenyl)methyl N-methyl-N-[2-[methyl(propanoyl)amino]ethyl]carbamate?
The IUPAC name of ethane;(4-methylphenyl)methyl N-methyl-N-[2-[methyl(propanoyl)amino]ethyl]carbamate (CID 178047000) is ethane;(4-methylphenyl)methyl N-methyl-N-[2-[methyl(propanoyl)amino]ethyl]carbamate.
What is the SMILES notation for ethane;(4-methylphenyl)methyl N-methyl-N-[2-[methyl(propanoyl)amino]ethyl]carbamate?
The canonical SMILES for ethane;(4-methylphenyl)methyl N-methyl-N-[2-[methyl(propanoyl)amino]ethyl]carbamate is CC.CC.CCC(=O)N(C)CCN(C)C(=O)OCc1ccc(C)cc1.
What is the InChIKey of ethane;(4-methylphenyl)methyl N-methyl-N-[2-[methyl(propanoyl)amino]ethyl]carbamate?
The InChIKey is WVFZQTKJOFXACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3.2C2H6/c1-5-15(19)17(3)10-11-18(4)16(20)21-12-14-8-6-13(2)7-9-14;2*1-2/h6-9H,5,10-12H2,1-4H3;2*1-2H3.
What are the key properties of ethane;(4-methylphenyl)methyl N-methyl-N-[2-[methyl(propanoyl)amino]ethyl]carbamate?
ethane;(4-methylphenyl)methyl N-methyl-N-[2-[methyl(propanoyl)amino]ethyl]carbamate has a molecular weight of 352.52 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4-methylphenyl)methyl N-methyl-N-[2-[methyl(propanoyl)amino]ethyl]carbamate is sourced from PubChem (CID 178047000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).