N-benzyl-3-[2-(2-methylpropylamino)-2-oxoethoxy]benzamide

C20H24N2O3 — CID 2126774

IUPACN-benzyl-3-[2-(2-methylpropylamino)-2-oxoethoxy]benzamide
SMILESCC(C)CNC(=O)COc1cccc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C20H24N2O3/c1-15(2)12-21-19(23)14-25-18-10-6-9-17(11-18)20(24)22-13-16-7-4-3-5-8-16/h3-11,15H,12-14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyRPXIHXUDAPGKQS-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.77
Rot. Bonds8

About N-benzyl-3-[2-(2-methylpropylamino)-2-oxoethoxy]benzamide

N-benzyl-3-[2-(2-methylpropylamino)-2-oxoethoxy]benzamide (PubChem CID 2126774) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-benzyl-3-[2-(2-methylpropylamino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-benzyl-3-[2-(2-methylpropylamino)-2-oxoethoxy]benzamide
PubChem CID2126774
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-benzyl-3-[2-(2-methylpropylamino)-2-oxoethoxy]benzamide
SMILESCC(C)CNC(=O)COc1cccc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C20H24N2O3/c1-15(2)12-21-19(23)14-25-18-10-6-9-17(11-18)20(24)22-13-16-7-4-3-5-8-16/h3-11,15H,12-14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyRPXIHXUDAPGKQS-UHFFFAOYSA-N
XLogP2.77
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[2-(2-methylpropylamino)-2-oxoethoxy]benzamide?
The IUPAC name of N-benzyl-3-[2-(2-methylpropylamino)-2-oxoethoxy]benzamide (CID 2126774) is N-benzyl-3-[2-(2-methylpropylamino)-2-oxoethoxy]benzamide.
What is the SMILES notation for N-benzyl-3-[2-(2-methylpropylamino)-2-oxoethoxy]benzamide?
The canonical SMILES for N-benzyl-3-[2-(2-methylpropylamino)-2-oxoethoxy]benzamide is CC(C)CNC(=O)COc1cccc(C(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-3-[2-(2-methylpropylamino)-2-oxoethoxy]benzamide?
The InChIKey is RPXIHXUDAPGKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15(2)12-21-19(23)14-25-18-10-6-9-17(11-18)20(24)22-13-16-7-4-3-5-8-16/h3-11,15H,12-14H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-benzyl-3-[2-(2-methylpropylamino)-2-oxoethoxy]benzamide?
N-benzyl-3-[2-(2-methylpropylamino)-2-oxoethoxy]benzamide has a molecular weight of 340.42 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[2-(2-methylpropylamino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 2126774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).