N-(3-amino-4-methylphenyl)-4-(morpholin-4-ylmethyl)benzamide

C19H23N3O2 — CID 141217445

IUPACN-(3-amino-4-methylphenyl)-4-(morpholin-4-ylmethyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc1N
InChIInChI=1S/C19H23N3O2/c1-14-2-7-17(12-18(14)20)21-19(23)16-5-3-15(4-6-16)13-22-8-10-24-11-9-22/h2-7,12H,8-11,13,20H2,1H3,(H,21,23)
InChIKeyIXZPDUBHGRJXFJ-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.66
Rot. Bonds4

About N-(3-amino-4-methylphenyl)-4-(morpholin-4-ylmethyl)benzamide

N-(3-amino-4-methylphenyl)-4-(morpholin-4-ylmethyl)benzamide (PubChem CID 141217445) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(3-amino-4-methylphenyl)-4-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(3-amino-4-methylphenyl)-4-(morpholin-4-ylmethyl)benzamide
PubChem CID141217445
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-(3-amino-4-methylphenyl)-4-(morpholin-4-ylmethyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc1N
InChIInChI=1S/C19H23N3O2/c1-14-2-7-17(12-18(14)20)21-19(23)16-5-3-15(4-6-16)13-22-8-10-24-11-9-22/h2-7,12H,8-11,13,20H2,1H3,(H,21,23)
InChIKeyIXZPDUBHGRJXFJ-UHFFFAOYSA-N
XLogP2.66
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.66
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

N-(4-acetylphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 5132306
N-(3,4-dimethoxyphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 1099911
4-methyl-N-[4-(1,4-oxazepan-4-ylmethyl)phenyl]benzamide
CID 166858230
N-(3,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)benzamide
CID 46769268
N-(3-fluorophenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 674229
dimethyl 5-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzene-1,3-dicarboxylate
CID 9045335
N-[4-(morpholin-4-ylmethyl)phenyl]-4-(trifluoromethyl)benzamide
CID 108731001
4-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2211000
3,4-dimethyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 17397484
N-(2-aminoethyl)-4-(morpholin-4-ylmethyl)benzamide
CID 84614014
4-butan-2-yloxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 2940925
3-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]benzamide
CID 119890407

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylphenyl)-4-(morpholin-4-ylmethyl)benzamide?
The IUPAC name of N-(3-amino-4-methylphenyl)-4-(morpholin-4-ylmethyl)benzamide (CID 141217445) is N-(3-amino-4-methylphenyl)-4-(morpholin-4-ylmethyl)benzamide.
What is the SMILES notation for N-(3-amino-4-methylphenyl)-4-(morpholin-4-ylmethyl)benzamide?
The canonical SMILES for N-(3-amino-4-methylphenyl)-4-(morpholin-4-ylmethyl)benzamide is Cc1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc1N.
What is the InChIKey of N-(3-amino-4-methylphenyl)-4-(morpholin-4-ylmethyl)benzamide?
The InChIKey is IXZPDUBHGRJXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14-2-7-17(12-18(14)20)21-19(23)16-5-3-15(4-6-16)13-22-8-10-24-11-9-22/h2-7,12H,8-11,13,20H2,1H3,(H,21,23).
What are the key properties of N-(3-amino-4-methylphenyl)-4-(morpholin-4-ylmethyl)benzamide?
N-(3-amino-4-methylphenyl)-4-(morpholin-4-ylmethyl)benzamide has a molecular weight of 325.41 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylphenyl)-4-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 141217445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).