N-(5-amino-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide

C16H25N3O2 — CID 16779419

IUPACN-(5-amino-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
SMILESCc1ccc(N)cc1NC(=O)C(C)N1CC(C)OC(C)C1
InChIInChI=1S/C16H25N3O2/c1-10-5-6-14(17)7-15(10)18-16(20)13(4)19-8-11(2)21-12(3)9-19/h5-7,11-13H,8-9,17H2,1-4H3,(H,18,20)
InChIKeyVKWJVOGOADJAKS-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.01
Rot. Bonds3

About N-(5-amino-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide

N-(5-amino-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide (PubChem CID 16779419) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
PubChem CID16779419
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN-(5-amino-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
SMILESCc1ccc(N)cc1NC(=O)C(C)N1CC(C)OC(C)C1
InChIInChI=1S/C16H25N3O2/c1-10-5-6-14(17)7-15(10)18-16(20)13(4)19-8-11(2)21-12(3)9-19/h5-7,11-13H,8-9,17H2,1-4H3,(H,18,20)
InChIKeyVKWJVOGOADJAKS-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-(2,6-dimethylmorpholin-4-yl)propanamide
CID 16778867
N-(4-amino-2-methylphenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)propanamide
CID 106667934
N-(5-amino-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
CID 62941496
N-(5-amino-2-methylphenyl)-2-(2,5-dimethylmorpholin-4-yl)propanamide
CID 43544200
N-(2-amino-4-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 16778971
N-(4-amino-2-methylphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)propanamide
CID 62989125
N-(2,4-dichlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 3893745
(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(3-fluoro-4-methylphenyl)propanamide
CID 9249085
N-(2-amino-4-methoxyphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 16779396
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
(2S)-N-(2,4-difluorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 9249053

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide (CID 16779419) is N-(5-amino-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide is Cc1ccc(N)cc1NC(=O)C(C)N1CC(C)OC(C)C1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide?
The InChIKey is VKWJVOGOADJAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-10-5-6-14(17)7-15(10)18-16(20)13(4)19-8-11(2)21-12(3)9-19/h5-7,11-13H,8-9,17H2,1-4H3,(H,18,20).
What are the key properties of N-(5-amino-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide?
N-(5-amino-2-methylphenyl)-2-(2,6-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-(2,6-dimethylmorpholin-4-yl)propanamide is sourced from PubChem (CID 16779419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).