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

C24H32N2O5 — CID 38556550

IUPAC3,4-diethoxy-N-[2-oxo-2-[[2-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NCc2ccccc2COC(C)C)cc1OCC
InChIInChI=1S/C24H32N2O5/c1-5-29-21-12-11-18(13-22(21)30-6-2)24(28)26-15-23(27)25-14-19-9-7-8-10-20(19)16-31-17(3)4/h7-13,17H,5-6,14-16H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyVWLALYZIQFOJTN-UHFFFAOYSA-N
MW428.53 g/mol
LogP3.46
Rot. Bonds12

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

3,4-diethoxy-N-[2-oxo-2-[[2-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide (PubChem CID 38556550) has the molecular formula C24H32N2O5 and a molecular weight of 428.53 g/mol. Its IUPAC name is 3,4-diethoxy-N-[2-oxo-2-[[2-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[2-oxo-2-[[2-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide
PubChem CID38556550
Molecular FormulaC24H32N2O5
Molecular Weight428.53 g/mol
Exact Mass428.23
IUPAC Name3,4-diethoxy-N-[2-oxo-2-[[2-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NCc2ccccc2COC(C)C)cc1OCC
InChIInChI=1S/C24H32N2O5/c1-5-29-21-12-11-18(13-22(21)30-6-2)24(28)26-15-23(27)25-14-19-9-7-8-10-20(19)16-31-17(3)4/h7-13,17H,5-6,14-16H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyVWLALYZIQFOJTN-UHFFFAOYSA-N
XLogP3.46
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[2-oxo-2-[[2-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide
CID 38556545
3,4-diethoxy-N-[2-oxo-2-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
CID 35955494
N-[2-[(2,3-dimethoxyphenyl)methylamino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 46586806
3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide
CID 71822422
3,4-diethoxy-N-[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]benzamide
CID 55635770
3,4-diethoxy-N-[2-[(5-ethylthiophen-2-yl)methylamino]-2-oxoethyl]benzamide
CID 46466415
4-ethoxy-N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylbenzamide
CID 86938100
3-ethoxy-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-propoxybenzamide
CID 46456160
3,4,5-trimethoxy-N-[2-[[2-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 30855829
3,4-diethoxy-N-(2-methylpropyl)benzamide
CID 918264
4-ethoxy-3-methoxy-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 9143127
2-(4-methoxyphenyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 38555944

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[2-oxo-2-[[2-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[2-oxo-2-[[2-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide (CID 38556550) is 3,4-diethoxy-N-[2-oxo-2-[[2-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[2-oxo-2-[[2-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[2-oxo-2-[[2-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide is CCOc1ccc(C(=O)NCC(=O)NCc2ccccc2COC(C)C)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[2-oxo-2-[[2-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide?
The InChIKey is VWLALYZIQFOJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O5/c1-5-29-21-12-11-18(13-22(21)30-6-2)24(28)26-15-23(27)25-14-19-9-7-8-10-20(19)16-31-17(3)4/h7-13,17H,5-6,14-16H2,1-4H3,(H,25,27)(H,26,28).
What are the key properties of 3,4-diethoxy-N-[2-oxo-2-[[2-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide?
3,4-diethoxy-N-[2-oxo-2-[[2-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide has a molecular weight of 428.53 g/mol, XLogP of 3.46, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[2-oxo-2-[[2-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide is sourced from PubChem (CID 38556550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).