N-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-3-methylbenzamide

C19H23N3O2 — CID 91676207

IUPACN-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(N3CCOCC3)c(N)cc2C)c1
InChIInChI=1S/C19H23N3O2/c1-13-4-3-5-15(10-13)19(23)21-17-12-18(16(20)11-14(17)2)22-6-8-24-9-7-22/h3-5,10-12H,6-9,20H2,1-2H3,(H,21,23)
InChIKeyPHSSHTPGGNEWNL-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.97
Rot. Bonds3

About N-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-3-methylbenzamide

N-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-3-methylbenzamide (PubChem CID 91676207) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-3-methylbenzamide
PubChem CID91676207
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(N3CCOCC3)c(N)cc2C)c1
InChIInChI=1S/C19H23N3O2/c1-13-4-3-5-15(10-13)19(23)21-17-12-18(16(20)11-14(17)2)22-6-8-24-9-7-22/h3-5,10-12H,6-9,20H2,1-2H3,(H,21,23)
InChIKeyPHSSHTPGGNEWNL-UHFFFAOYSA-N
XLogP2.97
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-3-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-3-chlorobenzamide
CID 91676215
3-methyl-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide
CID 110400455
N-(4-amino-2-chloro-5-piperidin-1-ylphenyl)-3-methylbenzamide
CID 50881210
N-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-2-methoxybenzamide
CID 91676222
3-amino-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 28723668
3,5-dimethyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 969408
N-[(2R)-1-(2,4-dimorpholin-4-ylanilino)-1-oxopropan-2-yl]-3-methylbenzamide
CID 41080718
N-[2-amino-5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-4-methylphenyl]-3-methylbenzamide
CID 99969105
3-chloro-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 898180
N-(2,4-dimorpholin-4-ylphenyl)-3-fluorobenzamide
CID 4824008
N-(3-amino-4-piperidin-1-ylphenyl)-3-methylbenzamide
CID 91676338
N-(5-amino-2-piperidin-1-ylphenyl)-3-methylbenzamide
CID 91675430

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-3-methylbenzamide?
The IUPAC name of N-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-3-methylbenzamide (CID 91676207) is N-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-3-methylbenzamide.
What is the SMILES notation for N-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-3-methylbenzamide?
The canonical SMILES for N-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2cc(N3CCOCC3)c(N)cc2C)c1.
What is the InChIKey of N-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-3-methylbenzamide?
The InChIKey is PHSSHTPGGNEWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13-4-3-5-15(10-13)19(23)21-17-12-18(16(20)11-14(17)2)22-6-8-24-9-7-22/h3-5,10-12H,6-9,20H2,1-2H3,(H,21,23).
What are the key properties of N-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-3-methylbenzamide?
N-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-3-methylbenzamide has a molecular weight of 325.41 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-3-methylbenzamide is sourced from PubChem (CID 91676207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).