3,4,5-trimethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide

C22H28N2O5 — CID 27890450

IUPAC3,4,5-trimethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
SMILESCOc1cc(C(=O)NCc2ccc(CN3CCOCC3)cc2)cc(OC)c1OC
InChIInChI=1S/C22H28N2O5/c1-26-19-12-18(13-20(27-2)21(19)28-3)22(25)23-14-16-4-6-17(7-5-16)15-24-8-10-29-11-9-24/h4-7,12-13H,8-11,14-15H2,1-3H3,(H,23,25)
InChIKeyCZVYQCHTOSSSSD-UHFFFAOYSA-N
MW400.48 g/mol
LogP2.47
Rot. Bonds8

About 3,4,5-trimethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide

3,4,5-trimethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide (PubChem CID 27890450) has the molecular formula C22H28N2O5 and a molecular weight of 400.48 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
PubChem CID27890450
Molecular FormulaC22H28N2O5
Molecular Weight400.48 g/mol
Exact Mass400.20
IUPAC Name3,4,5-trimethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
SMILESCOc1cc(C(=O)NCc2ccc(CN3CCOCC3)cc2)cc(OC)c1OC
InChIInChI=1S/C22H28N2O5/c1-26-19-12-18(13-20(27-2)21(19)28-3)22(25)23-14-16-4-6-17(7-5-16)15-24-8-10-29-11-9-24/h4-7,12-13H,8-11,14-15H2,1-3H3,(H,23,25)
InChIKeyCZVYQCHTOSSSSD-UHFFFAOYSA-N
XLogP2.47
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3,4,5-trimethoxybenzamide
CID 55742851
2-(5-acetyl-2-methoxyphenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 31446019
2-methoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 17437691
3,4-dimethyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 17397484
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60602273
N-benzyl-4-(morpholin-4-ylmethyl)benzamide
CID 786772
2,3-dimethoxy-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 55814732
3-bromo-4-ethoxy-5-methoxy-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzamide
CID 55727960
3,4,5-trimethoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide
CID 108763385
2-bromo-5-methoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 17473474
2-(3,4-dimethoxyphenyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 55815087
3-acetamido-4-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 78876482

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide (CID 27890450) is 3,4,5-trimethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide is COc1cc(C(=O)NCc2ccc(CN3CCOCC3)cc2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is CZVYQCHTOSSSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5/c1-26-19-12-18(13-20(27-2)21(19)28-3)22(25)23-14-16-4-6-17(7-5-16)15-24-8-10-29-11-9-24/h4-7,12-13H,8-11,14-15H2,1-3H3,(H,23,25).
What are the key properties of 3,4,5-trimethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide?
3,4,5-trimethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 400.48 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 27890450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).