N-(5-amino-2-methylphenyl)-2-(2,5-dimethylmorpholin-4-yl)propanamide

C16H25N3O2 — CID 43544200

IUPACN-(5-amino-2-methylphenyl)-2-(2,5-dimethylmorpholin-4-yl)propanamide
SMILESCc1ccc(N)cc1NC(=O)C(C)N1CC(C)OCC1C
InChIInChI=1S/C16H25N3O2/c1-10-5-6-14(17)7-15(10)18-16(20)13(4)19-8-12(3)21-9-11(19)2/h5-7,11-13H,8-9,17H2,1-4H3,(H,18,20)
InChIKeySONDPGDXEOHUJL-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.01
Rot. Bonds3

About N-(5-amino-2-methylphenyl)-2-(2,5-dimethylmorpholin-4-yl)propanamide

N-(5-amino-2-methylphenyl)-2-(2,5-dimethylmorpholin-4-yl)propanamide (PubChem CID 43544200) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-2-(2,5-dimethylmorpholin-4-yl)propanamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-2-(2,5-dimethylmorpholin-4-yl)propanamide
PubChem CID43544200
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN-(5-amino-2-methylphenyl)-2-(2,5-dimethylmorpholin-4-yl)propanamide
SMILESCc1ccc(N)cc1NC(=O)C(C)N1CC(C)OCC1C
InChIInChI=1S/C16H25N3O2/c1-10-5-6-14(17)7-15(10)18-16(20)13(4)19-8-12(3)21-9-11(19)2/h5-7,11-13H,8-9,17H2,1-4H3,(H,18,20)
InChIKeySONDPGDXEOHUJL-UHFFFAOYSA-N
XLogP2.01
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.01
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-amino-2-methylphenyl)-2-(2,5-dimethylmorpholin-4-yl)propanamide
CID 43544196
N-(3-amino-2-methylphenyl)-2-(2,5-dimethylmorpholin-4-yl)propanamide
CID 43544182
N-(5-amino-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 16779419
N-(4-amino-2-methylphenyl)-2-(3-methylmorpholin-4-yl)propanamide
CID 43541684
N-[4-(aminomethyl)phenyl]-2-(2,5-dimethylmorpholin-4-yl)propanamide
CID 43544268
N-(4-aminophenyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propanamide
CID 81195909
N-(5-amino-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
CID 62941496
N-(4-amino-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 16778867
N-(4-amino-2-methylphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)propanamide
CID 62989125
N-(5-amino-2-fluorophenyl)-2-(2-methylpiperidin-1-yl)propanamide
CID 16779221
N-(5-amino-2-fluorophenyl)-2-(3,4-dimethylpyrrolidin-1-yl)propanamide
CID 79188944
N-(5-amino-2-methylphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide
CID 103355465

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-2-(2,5-dimethylmorpholin-4-yl)propanamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-2-(2,5-dimethylmorpholin-4-yl)propanamide (CID 43544200) is N-(5-amino-2-methylphenyl)-2-(2,5-dimethylmorpholin-4-yl)propanamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-2-(2,5-dimethylmorpholin-4-yl)propanamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-2-(2,5-dimethylmorpholin-4-yl)propanamide is Cc1ccc(N)cc1NC(=O)C(C)N1CC(C)OCC1C.
What is the InChIKey of N-(5-amino-2-methylphenyl)-2-(2,5-dimethylmorpholin-4-yl)propanamide?
The InChIKey is SONDPGDXEOHUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-10-5-6-14(17)7-15(10)18-16(20)13(4)19-8-12(3)21-9-11(19)2/h5-7,11-13H,8-9,17H2,1-4H3,(H,18,20).
What are the key properties of N-(5-amino-2-methylphenyl)-2-(2,5-dimethylmorpholin-4-yl)propanamide?
N-(5-amino-2-methylphenyl)-2-(2,5-dimethylmorpholin-4-yl)propanamide has a molecular weight of 291.40 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-2-(2,5-dimethylmorpholin-4-yl)propanamide is sourced from PubChem (CID 43544200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).