3-benzamido-4-methyl-N-(2-morpholin-4-ylethyl)benzamide

C21H25N3O3 — CID 17226356

IUPAC3-benzamido-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1ccc(C(=O)NCCN2CCOCC2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C21H25N3O3/c1-16-7-8-18(20(25)22-9-10-24-11-13-27-14-12-24)15-19(16)23-21(26)17-5-3-2-4-6-17/h2-8,15H,9-14H2,1H3,(H,22,25)(H,23,26)
InChIKeyWTURNZAPMXKSHO-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.31
Rot. Bonds6

About 3-benzamido-4-methyl-N-(2-morpholin-4-ylethyl)benzamide

3-benzamido-4-methyl-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 17226356) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-benzamido-4-methyl-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name3-benzamido-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID17226356
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name3-benzamido-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1ccc(C(=O)NCCN2CCOCC2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C21H25N3O3/c1-16-7-8-18(20(25)22-9-10-24-11-13-27-14-12-24)15-19(16)23-21(26)17-5-3-2-4-6-17/h2-8,15H,9-14H2,1H3,(H,22,25)(H,23,26)
InChIKeyWTURNZAPMXKSHO-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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Related Compounds

3-benzamido-4-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 55723788
3-benzamido-4-methyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447939
3-iodo-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 134052243
N-[2-methyl-5-(2-morpholin-4-ylethylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide
CID 20955162
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
N-[2-methyl-5-(4-morpholin-4-ylbutylcarbamoyl)phenyl]furan-2-carboxamide
CID 55742434
3-N-(2-ethyl-6-methylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109053328
4-N-(2-ethoxyphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045923
2-N-(2,5-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109083747
4-methyl-3-[[methyl(2-morpholin-4-ylethyl)carbamoyl]amino]-N-phenylbenzamide
CID 71877034
3-benzamido-4-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 55635484
3-fluoro-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
CID 48581644

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-4-methyl-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 3-benzamido-4-methyl-N-(2-morpholin-4-ylethyl)benzamide (CID 17226356) is 3-benzamido-4-methyl-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 3-benzamido-4-methyl-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 3-benzamido-4-methyl-N-(2-morpholin-4-ylethyl)benzamide is Cc1ccc(C(=O)NCCN2CCOCC2)cc1NC(=O)c1ccccc1.
What is the InChIKey of 3-benzamido-4-methyl-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is WTURNZAPMXKSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-16-7-8-18(20(25)22-9-10-24-11-13-27-14-12-24)15-19(16)23-21(26)17-5-3-2-4-6-17/h2-8,15H,9-14H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 3-benzamido-4-methyl-N-(2-morpholin-4-ylethyl)benzamide?
3-benzamido-4-methyl-N-(2-morpholin-4-ylethyl)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 3-benzamido-4-methyl-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 17226356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).