ethane;[4-(methylamino)-2-(methylcarbamoyl)phenyl]methyl acetate

C14H22N2O3 — CID 171843652

IUPACethane;[4-(methylamino)-2-(methylcarbamoyl)phenyl]methyl acetate
SMILESCC.CNC(=O)c1cc(NC)ccc1COC(C)=O
InChIInChI=1S/C12H16N2O3.C2H6/c1-8(15)17-7-9-4-5-10(13-2)6-11(9)12(16)14-3;1-2/h4-6,13H,7H2,1-3H3,(H,14,16);1-2H3
InChIKeyKAUHCUSTWQCLAN-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.18
Rot. Bonds4

About ethane;[4-(methylamino)-2-(methylcarbamoyl)phenyl]methyl acetate

ethane;[4-(methylamino)-2-(methylcarbamoyl)phenyl]methyl acetate (PubChem CID 171843652) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is ethane;[4-(methylamino)-2-(methylcarbamoyl)phenyl]methyl acetate.

Molecular Properties

Compound Nameethane;[4-(methylamino)-2-(methylcarbamoyl)phenyl]methyl acetate
PubChem CID171843652
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Nameethane;[4-(methylamino)-2-(methylcarbamoyl)phenyl]methyl acetate
SMILESCC.CNC(=O)c1cc(NC)ccc1COC(C)=O
InChIInChI=1S/C12H16N2O3.C2H6/c1-8(15)17-7-9-4-5-10(13-2)6-11(9)12(16)14-3;1-2/h4-6,13H,7H2,1-3H3,(H,14,16);1-2H3
InChIKeyKAUHCUSTWQCLAN-UHFFFAOYSA-N
XLogP2.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;[4-(methylamino)-2-(methylcarbamoyl)phenyl]methyl acetate?
The IUPAC name of ethane;[4-(methylamino)-2-(methylcarbamoyl)phenyl]methyl acetate (CID 171843652) is ethane;[4-(methylamino)-2-(methylcarbamoyl)phenyl]methyl acetate.
What is the SMILES notation for ethane;[4-(methylamino)-2-(methylcarbamoyl)phenyl]methyl acetate?
The canonical SMILES for ethane;[4-(methylamino)-2-(methylcarbamoyl)phenyl]methyl acetate is CC.CNC(=O)c1cc(NC)ccc1COC(C)=O.
What is the InChIKey of ethane;[4-(methylamino)-2-(methylcarbamoyl)phenyl]methyl acetate?
The InChIKey is KAUHCUSTWQCLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3.C2H6/c1-8(15)17-7-9-4-5-10(13-2)6-11(9)12(16)14-3;1-2/h4-6,13H,7H2,1-3H3,(H,14,16);1-2H3.
What are the key properties of ethane;[4-(methylamino)-2-(methylcarbamoyl)phenyl]methyl acetate?
ethane;[4-(methylamino)-2-(methylcarbamoyl)phenyl]methyl acetate has a molecular weight of 266.34 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[4-(methylamino)-2-(methylcarbamoyl)phenyl]methyl acetate is sourced from PubChem (CID 171843652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).