N-(3-amino-2-methylphenyl)-2-(2,5-dimethylmorpholin-4-yl)propanamide

C16H25N3O2 — CID 43544182

IUPACN-(3-amino-2-methylphenyl)-2-(2,5-dimethylmorpholin-4-yl)propanamide
SMILESCc1c(N)cccc1NC(=O)C(C)N1CC(C)OCC1C
InChIInChI=1S/C16H25N3O2/c1-10-9-21-11(2)8-19(10)13(4)16(20)18-15-7-5-6-14(17)12(15)3/h5-7,10-11,13H,8-9,17H2,1-4H3,(H,18,20)
InChIKeySIFVNUPHJQGPIK-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.01
Rot. Bonds3

About N-(3-amino-2-methylphenyl)-2-(2,5-dimethylmorpholin-4-yl)propanamide

N-(3-amino-2-methylphenyl)-2-(2,5-dimethylmorpholin-4-yl)propanamide (PubChem CID 43544182) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(3-amino-2-methylphenyl)-2-(2,5-dimethylmorpholin-4-yl)propanamide.

Molecular Properties

Compound NameN-(3-amino-2-methylphenyl)-2-(2,5-dimethylmorpholin-4-yl)propanamide
PubChem CID43544182
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-(3-amino-2-methylphenyl)-2-(2,5-dimethylmorpholin-4-yl)propanamide
SMILESCc1c(N)cccc1NC(=O)C(C)N1CC(C)OCC1C
InChIInChI=1S/C16H25N3O2/c1-10-9-21-11(2)8-19(10)13(4)16(20)18-15-7-5-6-14(17)12(15)3/h5-7,10-11,13H,8-9,17H2,1-4H3,(H,18,20)
InChIKeySIFVNUPHJQGPIK-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 ≤ 500291.39
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-(5-amino-2-methylphenyl)-2-(2,5-dimethylmorpholin-4-yl)propanamide
CID 43544200
N-[4-(aminomethyl)phenyl]-2-(2,5-dimethylmorpholin-4-yl)propanamide
CID 43544268
N-(3-amino-2-methylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 102956099
N-(3-chloro-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 46630775
N-(3-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 114797183
N-(3-amino-2-methylphenyl)-2-(2-methylimidazol-1-yl)propanamide
CID 16782472
N-(3-amino-2-methylphenyl)-2-(1,4-thiazepan-4-yl)propanamide
CID 61418715
(3-amino-2-methylphenyl)urea
CID 16770559
N-(4-aminophenyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propanamide
CID 81195909
N-(3-amino-2-methylphenyl)-2-(5-oxo-1,4-diazepan-1-yl)propanamide
CID 63002831
N-(3-amino-2-methylphenyl)-2-[methyl(oxolan-3-yl)amino]propanamide
CID 82733294

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylphenyl)-2-(2,5-dimethylmorpholin-4-yl)propanamide?
The IUPAC name of N-(3-amino-2-methylphenyl)-2-(2,5-dimethylmorpholin-4-yl)propanamide (CID 43544182) is N-(3-amino-2-methylphenyl)-2-(2,5-dimethylmorpholin-4-yl)propanamide.
What is the SMILES notation for N-(3-amino-2-methylphenyl)-2-(2,5-dimethylmorpholin-4-yl)propanamide?
The canonical SMILES for N-(3-amino-2-methylphenyl)-2-(2,5-dimethylmorpholin-4-yl)propanamide is Cc1c(N)cccc1NC(=O)C(C)N1CC(C)OCC1C.
What is the InChIKey of N-(3-amino-2-methylphenyl)-2-(2,5-dimethylmorpholin-4-yl)propanamide?
The InChIKey is SIFVNUPHJQGPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-10-9-21-11(2)8-19(10)13(4)16(20)18-15-7-5-6-14(17)12(15)3/h5-7,10-11,13H,8-9,17H2,1-4H3,(H,18,20).
What are the key properties of N-(3-amino-2-methylphenyl)-2-(2,5-dimethylmorpholin-4-yl)propanamide?
N-(3-amino-2-methylphenyl)-2-(2,5-dimethylmorpholin-4-yl)propanamide has a molecular weight of 291.39 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-(3-amino-2-methylphenyl)-2-(2,5-dimethylmorpholin-4-yl)propanamide is sourced from PubChem (CID 43544182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).