5-amino-2-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide

C20H25N3O2 — CID 120640346

IUPAC5-amino-2-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
SMILESCc1ccc(N)cc1C(=O)NCc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C20H25N3O2/c1-15-2-7-18(21)12-19(15)20(24)22-13-16-3-5-17(6-4-16)14-23-8-10-25-11-9-23/h2-7,12H,8-11,13-14,21H2,1H3,(H,22,24)
InChIKeyQCSOVBCKVQRGJM-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.34
Rot. Bonds5

About 5-amino-2-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide

5-amino-2-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide (PubChem CID 120640346) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
PubChem CID120640346
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name5-amino-2-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
SMILESCc1ccc(N)cc1C(=O)NCc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C20H25N3O2/c1-15-2-7-18(21)12-19(15)20(24)22-13-16-3-5-17(6-4-16)14-23-8-10-25-11-9-23/h2-7,12H,8-11,13-14,21H2,1H3,(H,22,24)
InChIKeyQCSOVBCKVQRGJM-UHFFFAOYSA-N
XLogP2.34
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzamide
CID 120647867
5-amino-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylbenzamide
CID 120641589
3,4-dimethyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 17397484
5-amino-2-methyl-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide;dihydrochloride
CID 120642238
4,5-dimethyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 31445799
3-acetamido-4-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 78876482
2-methyl-5-methylsulfanyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 55971149
2-methoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 17437691
5-amino-N-[4-(azepan-1-ylmethyl)phenyl]-2-methylbenzamide;dihydrochloride
CID 120645609
5-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-methylbenzamide
CID 120647871
5-amino-2-methyl-N-(2-morpholin-4-ylpropyl)benzamide;dihydrochloride
CID 120642354
5-amino-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)benzamide;dihydrochloride
CID 120642682

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 5-amino-2-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide (CID 120640346) is 5-amino-2-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 5-amino-2-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 5-amino-2-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide is Cc1ccc(N)cc1C(=O)NCc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 5-amino-2-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is QCSOVBCKVQRGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15-2-7-18(21)12-19(15)20(24)22-13-16-3-5-17(6-4-16)14-23-8-10-25-11-9-23/h2-7,12H,8-11,13-14,21H2,1H3,(H,22,24).
What are the key properties of 5-amino-2-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide?
5-amino-2-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 339.44 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 120640346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).