4-methyl-N-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]benzamide

C21H27N3O2 — CID 31136249

IUPAC4-methyl-N-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(CNCCN3CCOCC3)c2)cc1
InChIInChI=1S/C21H27N3O2/c1-17-5-7-19(8-6-17)21(25)23-20-4-2-3-18(15-20)16-22-9-10-24-11-13-26-14-12-24/h2-8,15,22H,9-14,16H2,1H3,(H,23,25)
InChIKeyIORZRQUZOBFSHH-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.67
Rot. Bonds7

About 4-methyl-N-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]benzamide

4-methyl-N-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]benzamide (PubChem CID 31136249) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-methyl-N-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]benzamide
PubChem CID31136249
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name4-methyl-N-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(CNCCN3CCOCC3)c2)cc1
InChIInChI=1S/C21H27N3O2/c1-17-5-7-19(8-6-17)21(25)23-20-4-2-3-18(15-20)16-22-9-10-24-11-13-26-14-12-24/h2-8,15,22H,9-14,16H2,1H3,(H,23,25)
InChIKeyIORZRQUZOBFSHH-UHFFFAOYSA-N
XLogP2.67
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;oxalic acid
CID 17053091
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
N-[3-[(furan-2-ylmethylamino)methyl]phenyl]-4-methylbenzamide
CID 17451164
N-[(3-methylphenyl)methyl]-2-(2-morpholin-4-ylethylamino)acetamide
CID 108994751
4-[(2-morpholin-4-ylethylamino)methyl]benzamide
CID 28583134
N-[3-[[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 60536121
3-N-(3-acetylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109053343
4-methyl-N-[3-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]benzamide
CID 27654804
N-[(3-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016697
4-[(2-morpholin-4-ylethylamino)methyl]benzoic acid;dihydrochloride
CID 17159786
4-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
CID 121419957
N-[3-[[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 55887472

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]benzamide?
The IUPAC name of 4-methyl-N-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]benzamide (CID 31136249) is 4-methyl-N-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]benzamide.
What is the SMILES notation for 4-methyl-N-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]benzamide?
The canonical SMILES for 4-methyl-N-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]benzamide is Cc1ccc(C(=O)Nc2cccc(CNCCN3CCOCC3)c2)cc1.
What is the InChIKey of 4-methyl-N-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]benzamide?
The InChIKey is IORZRQUZOBFSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-17-5-7-19(8-6-17)21(25)23-20-4-2-3-18(15-20)16-22-9-10-24-11-13-26-14-12-24/h2-8,15,22H,9-14,16H2,1H3,(H,23,25).
What are the key properties of 4-methyl-N-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]benzamide?
4-methyl-N-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]benzamide has a molecular weight of 353.47 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]benzamide is sourced from PubChem (CID 31136249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).