3,4-dimethoxy-N-[4-(morpholine-4-carbonyl)phenyl]benzamide

C20H22N2O5 — CID 1134573

IUPAC3,4-dimethoxy-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1OC
InChIInChI=1S/C20H22N2O5/c1-25-17-8-5-15(13-18(17)26-2)19(23)21-16-6-3-14(4-7-16)20(24)22-9-11-27-12-10-22/h3-8,13H,9-12H2,1-2H3,(H,21,23)
InChIKeyNCZGNTXOLRRWKR-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.43
Rot. Bonds5

About 3,4-dimethoxy-N-[4-(morpholine-4-carbonyl)phenyl]benzamide

3,4-dimethoxy-N-[4-(morpholine-4-carbonyl)phenyl]benzamide (PubChem CID 1134573) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[4-(morpholine-4-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
PubChem CID1134573
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name3,4-dimethoxy-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1OC
InChIInChI=1S/C20H22N2O5/c1-25-17-8-5-15(13-18(17)26-2)19(23)21-16-6-3-14(4-7-16)20(24)22-9-11-27-12-10-22/h3-8,13H,9-12H2,1-2H3,(H,21,23)
InChIKeyNCZGNTXOLRRWKR-UHFFFAOYSA-N
XLogP2.43
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[4-(morpholine-4-carbonyl)phenyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[4-(morpholine-4-carbonyl)phenyl]benzamide (CID 1134573) is 3,4-dimethoxy-N-[4-(morpholine-4-carbonyl)phenyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[4-(morpholine-4-carbonyl)phenyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[4-(morpholine-4-carbonyl)phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[4-(morpholine-4-carbonyl)phenyl]benzamide?
The InChIKey is NCZGNTXOLRRWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-25-17-8-5-15(13-18(17)26-2)19(23)21-16-6-3-14(4-7-16)20(24)22-9-11-27-12-10-22/h3-8,13H,9-12H2,1-2H3,(H,21,23).
What are the key properties of 3,4-dimethoxy-N-[4-(morpholine-4-carbonyl)phenyl]benzamide?
3,4-dimethoxy-N-[4-(morpholine-4-carbonyl)phenyl]benzamide has a molecular weight of 370.41 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[4-(morpholine-4-carbonyl)phenyl]benzamide is sourced from PubChem (CID 1134573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).