3-amino-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide

C18H21N3O2 — CID 28723668

IUPAC3-amino-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccccc2N2CCOCC2)cc1N
InChIInChI=1S/C18H21N3O2/c1-13-6-7-14(12-15(13)19)18(22)20-16-4-2-3-5-17(16)21-8-10-23-11-9-21/h2-7,12H,8-11,19H2,1H3,(H,20,22)
InChIKeyAZMQTIDPKSHOLU-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.67
Rot. Bonds3

About 3-amino-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide

3-amino-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide (PubChem CID 28723668) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 3-amino-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name3-amino-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide
PubChem CID28723668
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name3-amino-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccccc2N2CCOCC2)cc1N
InChIInChI=1S/C18H21N3O2/c1-13-6-7-14(12-15(13)19)18(22)20-16-4-2-3-5-17(16)21-8-10-23-11-9-21/h2-7,12H,8-11,19H2,1H3,(H,20,22)
InChIKeyAZMQTIDPKSHOLU-UHFFFAOYSA-N
XLogP2.67
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.67
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

3-chloro-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 898180
3,5-dimethyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 969408
N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 2996589
2-methyl-N-(2-morpholin-4-ylphenyl)-1H-indole-5-carboxamide
CID 110695108
6-methyl-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 18148178
4-ethyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 2677776
1-acetyl-N-(2-morpholin-4-ylphenyl)-2,3-dihydroindole-5-carboxamide
CID 51265668
4-[(R)-methylsulfinyl]-N-(2-morpholin-4-ylphenyl)benzamide
CID 95332749
N-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-3-methylbenzamide
CID 91676207
3-N-(2-morpholin-4-ylphenyl)-1-N-pentylbenzene-1,3-dicarboxamide
CID 109056323
3-chloro-4-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide
CID 7473635
4-(2-methylpropyl)-N-(2-morpholin-4-ylphenyl)benzamide
CID 17438048

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 3-amino-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide (CID 28723668) is 3-amino-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 3-amino-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 3-amino-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide is Cc1ccc(C(=O)Nc2ccccc2N2CCOCC2)cc1N.
What is the InChIKey of 3-amino-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide?
The InChIKey is AZMQTIDPKSHOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-6-7-14(12-15(13)19)18(22)20-16-4-2-3-5-17(16)21-8-10-23-11-9-21/h2-7,12H,8-11,19H2,1H3,(H,20,22).
What are the key properties of 3-amino-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide?
3-amino-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide has a molecular weight of 311.39 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 28723668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).