3,5-dimethyl-N-[2-oxo-2-[[4-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide

C22H28N2O3 — CID 60516567

IUPAC3,5-dimethyl-N-[2-oxo-2-[[4-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide
SMILESCc1cc(C)cc(C(=O)NCC(=O)NCc2ccc(COC(C)C)cc2)c1
InChIInChI=1S/C22H28N2O3/c1-15(2)27-14-19-7-5-18(6-8-19)12-23-21(25)13-24-22(26)20-10-16(3)9-17(4)11-20/h5-11,15H,12-14H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyCRDWCUCEOXQINC-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.27
Rot. Bonds8

About 3,5-dimethyl-N-[2-oxo-2-[[4-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide

3,5-dimethyl-N-[2-oxo-2-[[4-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide (PubChem CID 60516567) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-oxo-2-[[4-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-oxo-2-[[4-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide
PubChem CID60516567
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name3,5-dimethyl-N-[2-oxo-2-[[4-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide
SMILESCc1cc(C)cc(C(=O)NCC(=O)NCc2ccc(COC(C)C)cc2)c1
InChIInChI=1S/C22H28N2O3/c1-15(2)27-14-19-7-5-18(6-8-19)12-23-21(25)13-24-22(26)20-10-16(3)9-17(4)11-20/h5-11,15H,12-14H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyCRDWCUCEOXQINC-UHFFFAOYSA-N
XLogP3.27
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-N-[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]benzamide
CID 2468601
2-fluoro-N-[2-oxo-2-[[4-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide
CID 55869935
3,5-dimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 47043818
N-[2-[(6-methoxynaphthalen-2-yl)methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 41255483
3-methyl-N-[2-oxo-2-[[2-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide
CID 38556545
3,5-dimethyl-N-[2-oxo-2-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]ethyl]benzamide
CID 46469090
N-[[4-(propan-2-yloxymethyl)phenyl]methyl]furan-3-carboxamide
CID 47043832
N-[(4-bromophenyl)methyl]-3,5-dimethylbenzamide
CID 61400488
3,4-dimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-5-prop-2-enylbenzamide
CID 55748619
N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-4-propan-2-ylsulfonylbenzamide
CID 55798141
4-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 26850940
3,5-dimethyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 27256307

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-oxo-2-[[4-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide?
The IUPAC name of 3,5-dimethyl-N-[2-oxo-2-[[4-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide (CID 60516567) is 3,5-dimethyl-N-[2-oxo-2-[[4-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-oxo-2-[[4-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide?
The canonical SMILES for 3,5-dimethyl-N-[2-oxo-2-[[4-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide is Cc1cc(C)cc(C(=O)NCC(=O)NCc2ccc(COC(C)C)cc2)c1.
What is the InChIKey of 3,5-dimethyl-N-[2-oxo-2-[[4-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide?
The InChIKey is CRDWCUCEOXQINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-15(2)27-14-19-7-5-18(6-8-19)12-23-21(25)13-24-22(26)20-10-16(3)9-17(4)11-20/h5-11,15H,12-14H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of 3,5-dimethyl-N-[2-oxo-2-[[4-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide?
3,5-dimethyl-N-[2-oxo-2-[[4-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide has a molecular weight of 368.48 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-oxo-2-[[4-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide is sourced from PubChem (CID 60516567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).