3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide

C23H28N2O6 — CID 25163242

IUPAC3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
SMILESCOc1cccc(CN(C)C(=O)c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)c1
InChIInChI=1S/C23H28N2O6/c1-24(15-17-5-4-6-19(13-17)28-2)23(27)18-7-8-20(21(14-18)29-3)31-16-22(26)25-9-11-30-12-10-25/h4-8,13-14H,9-12,15-16H2,1-3H3
InChIKeyKXKUHSQFCXCQFK-UHFFFAOYSA-N
MW428.49 g/mol
LogP2.21
Rot. Bonds8

About 3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide

3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide (PubChem CID 25163242) has the molecular formula C23H28N2O6 and a molecular weight of 428.49 g/mol. Its IUPAC name is 3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide.

Molecular Properties

Compound Name3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
PubChem CID25163242
Molecular FormulaC23H28N2O6
Molecular Weight428.49 g/mol
Exact Mass428.19
IUPAC Name3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
SMILESCOc1cccc(CN(C)C(=O)c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)c1
InChIInChI=1S/C23H28N2O6/c1-24(15-17-5-4-6-19(13-17)28-2)23(27)18-7-8-20(21(14-18)29-3)31-16-22(26)25-9-11-30-12-10-25/h4-8,13-14H,9-12,15-16H2,1-3H3
InChIKeyKXKUHSQFCXCQFK-UHFFFAOYSA-N
XLogP2.21
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide?
The IUPAC name of 3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide (CID 25163242) is 3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide.
What is the SMILES notation for 3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide?
The canonical SMILES for 3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide is COc1cccc(CN(C)C(=O)c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)c1.
What is the InChIKey of 3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide?
The InChIKey is KXKUHSQFCXCQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O6/c1-24(15-17-5-4-6-19(13-17)28-2)23(27)18-7-8-20(21(14-18)29-3)31-16-22(26)25-9-11-30-12-10-25/h4-8,13-14H,9-12,15-16H2,1-3H3.
What are the key properties of 3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide?
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide has a molecular weight of 428.49 g/mol, XLogP of 2.21, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide is sourced from PubChem (CID 25163242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).