2-methyl-N-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide

C21H25N3O3 — CID 27241616

IUPAC2-methyl-N-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccccc1C(=O)NCCN1CCOCC1
InChIInChI=1S/C21H25N3O3/c1-16-6-2-3-7-17(16)21(26)23-19-9-5-4-8-18(19)20(25)22-10-11-24-12-14-27-15-13-24/h2-9H,10-15H2,1H3,(H,22,25)(H,23,26)
InChIKeyNMBWEAUZSHYQLI-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.31
Rot. Bonds6

About 2-methyl-N-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide

2-methyl-N-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide (PubChem CID 27241616) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
PubChem CID27241616
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name2-methyl-N-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccccc1C(=O)NCCN1CCOCC1
InChIInChI=1S/C21H25N3O3/c1-16-6-2-3-7-17(16)21(26)23-19-9-5-4-8-18(19)20(25)22-10-11-24-12-14-27-15-13-24/h2-9H,10-15H2,1H3,(H,22,25)(H,23,26)
InChIKeyNMBWEAUZSHYQLI-UHFFFAOYSA-N
XLogP2.31
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide?
The IUPAC name of 2-methyl-N-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide (CID 27241616) is 2-methyl-N-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 2-methyl-N-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 2-methyl-N-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide is Cc1ccccc1C(=O)Nc1ccccc1C(=O)NCCN1CCOCC1.
What is the InChIKey of 2-methyl-N-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide?
The InChIKey is NMBWEAUZSHYQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-16-6-2-3-7-17(16)21(26)23-19-9-5-4-8-18(19)20(25)22-10-11-24-12-14-27-15-13-24/h2-9H,10-15H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 2-methyl-N-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide?
2-methyl-N-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide has a molecular weight of 367.45 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 27241616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).