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

C23H28N2O4 — CID 46469090

IUPAC3,5-dimethyl-N-[2-oxo-2-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]ethyl]benzamide
SMILESCc1cc(C)cc(C(=O)NCC(=O)NCc2ccc(OCC3CCCO3)cc2)c1
InChIInChI=1S/C23H28N2O4/c1-16-10-17(2)12-19(11-16)23(27)25-14-22(26)24-13-18-5-7-20(8-6-18)29-15-21-4-3-9-28-21/h5-8,10-12,21H,3-4,9,13-15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyFHPKJMJKKDSDRV-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.91
Rot. Bonds8

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

3,5-dimethyl-N-[2-oxo-2-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]ethyl]benzamide (PubChem CID 46469090) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-oxo-2-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]ethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-oxo-2-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]ethyl]benzamide
PubChem CID46469090
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name3,5-dimethyl-N-[2-oxo-2-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]ethyl]benzamide
SMILESCc1cc(C)cc(C(=O)NCC(=O)NCc2ccc(OCC3CCCO3)cc2)c1
InChIInChI=1S/C23H28N2O4/c1-16-10-17(2)12-19(11-16)23(27)25-14-22(26)24-13-18-5-7-20(8-6-18)29-15-21-4-3-9-28-21/h5-8,10-12,21H,3-4,9,13-15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyFHPKJMJKKDSDRV-UHFFFAOYSA-N
XLogP2.91
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4,5-trimethoxy-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide
CID 46469688
N-(2-amino-2-oxoethyl)-4-[[[4-(oxolan-2-ylmethoxy)benzoyl]amino]methyl]benzamide
CID 46494621
5-methyl-N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 94025887
3-(3-chloro-4-methylphenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide
CID 46470652
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-phenoxyacetamide
CID 42961546
2-(3-fluorophenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide
CID 42961557
2-(2-chlorophenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide
CID 42961556
2-[methyl(propan-2-yl)amino]-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide
CID 75462382
N-[(4-methoxyphenyl)methyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 134023779
4-(oxolan-2-ylmethoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 46560251
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine
CID 43214097
2-(3,5-dimethylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 4957867

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-oxo-2-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]ethyl]benzamide?
The IUPAC name of 3,5-dimethyl-N-[2-oxo-2-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]ethyl]benzamide (CID 46469090) is 3,5-dimethyl-N-[2-oxo-2-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]ethyl]benzamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-oxo-2-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]ethyl]benzamide?
The canonical SMILES for 3,5-dimethyl-N-[2-oxo-2-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]ethyl]benzamide is Cc1cc(C)cc(C(=O)NCC(=O)NCc2ccc(OCC3CCCO3)cc2)c1.
What is the InChIKey of 3,5-dimethyl-N-[2-oxo-2-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]ethyl]benzamide?
The InChIKey is FHPKJMJKKDSDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-16-10-17(2)12-19(11-16)23(27)25-14-22(26)24-13-18-5-7-20(8-6-18)29-15-21-4-3-9-28-21/h5-8,10-12,21H,3-4,9,13-15H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 3,5-dimethyl-N-[2-oxo-2-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]ethyl]benzamide?
3,5-dimethyl-N-[2-oxo-2-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]ethyl]benzamide has a molecular weight of 396.49 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-oxo-2-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]ethyl]benzamide is sourced from PubChem (CID 46469090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).