N-[4-[2-[(2-butan-2-yloxyphenyl)methylamino]-2-oxoethoxy]phenyl]propanamide

C22H28N2O4 — CID 50958101

IUPACN-[4-[2-[(2-butan-2-yloxyphenyl)methylamino]-2-oxoethoxy]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(OCC(=O)NCc2ccccc2OC(C)CC)cc1
InChIInChI=1S/C22H28N2O4/c1-4-16(3)28-20-9-7-6-8-17(20)14-23-22(26)15-27-19-12-10-18(11-13-19)24-21(25)5-2/h6-13,16H,4-5,14-15H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyQQSMDPVSTOSVJI-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.91
Rot. Bonds10

About N-[4-[2-[(2-butan-2-yloxyphenyl)methylamino]-2-oxoethoxy]phenyl]propanamide

N-[4-[2-[(2-butan-2-yloxyphenyl)methylamino]-2-oxoethoxy]phenyl]propanamide (PubChem CID 50958101) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[4-[2-[(2-butan-2-yloxyphenyl)methylamino]-2-oxoethoxy]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[2-[(2-butan-2-yloxyphenyl)methylamino]-2-oxoethoxy]phenyl]propanamide
PubChem CID50958101
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-[4-[2-[(2-butan-2-yloxyphenyl)methylamino]-2-oxoethoxy]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(OCC(=O)NCc2ccccc2OC(C)CC)cc1
InChIInChI=1S/C22H28N2O4/c1-4-16(3)28-20-9-7-6-8-17(20)14-23-22(26)15-27-19-12-10-18(11-13-19)24-21(25)5-2/h6-13,16H,4-5,14-15H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyQQSMDPVSTOSVJI-UHFFFAOYSA-N
XLogP3.91
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(2-butan-2-yloxyphenyl)methylamino]-2-oxoethoxy]phenyl]propanamide?
The IUPAC name of N-[4-[2-[(2-butan-2-yloxyphenyl)methylamino]-2-oxoethoxy]phenyl]propanamide (CID 50958101) is N-[4-[2-[(2-butan-2-yloxyphenyl)methylamino]-2-oxoethoxy]phenyl]propanamide.
What is the SMILES notation for N-[4-[2-[(2-butan-2-yloxyphenyl)methylamino]-2-oxoethoxy]phenyl]propanamide?
The canonical SMILES for N-[4-[2-[(2-butan-2-yloxyphenyl)methylamino]-2-oxoethoxy]phenyl]propanamide is CCC(=O)Nc1ccc(OCC(=O)NCc2ccccc2OC(C)CC)cc1.
What is the InChIKey of N-[4-[2-[(2-butan-2-yloxyphenyl)methylamino]-2-oxoethoxy]phenyl]propanamide?
The InChIKey is QQSMDPVSTOSVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-4-16(3)28-20-9-7-6-8-17(20)14-23-22(26)15-27-19-12-10-18(11-13-19)24-21(25)5-2/h6-13,16H,4-5,14-15H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of N-[4-[2-[(2-butan-2-yloxyphenyl)methylamino]-2-oxoethoxy]phenyl]propanamide?
N-[4-[2-[(2-butan-2-yloxyphenyl)methylamino]-2-oxoethoxy]phenyl]propanamide has a molecular weight of 384.48 g/mol, XLogP of 3.91, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(2-butan-2-yloxyphenyl)methylamino]-2-oxoethoxy]phenyl]propanamide is sourced from PubChem (CID 50958101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).