N-(4-amino-2-methylphenyl)-2-(3-methylmorpholin-4-yl)propanamide

C15H23N3O2 — CID 43541684

IUPACN-(4-amino-2-methylphenyl)-2-(3-methylmorpholin-4-yl)propanamide
SMILESCc1cc(N)ccc1NC(=O)C(C)N1CCOCC1C
InChIInChI=1S/C15H23N3O2/c1-10-8-13(16)4-5-14(10)17-15(19)12(3)18-6-7-20-9-11(18)2/h4-5,8,11-12H,6-7,9,16H2,1-3H3,(H,17,19)
InChIKeyQABPNSFQQGFHST-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.62
Rot. Bonds3

About N-(4-amino-2-methylphenyl)-2-(3-methylmorpholin-4-yl)propanamide

N-(4-amino-2-methylphenyl)-2-(3-methylmorpholin-4-yl)propanamide (PubChem CID 43541684) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-2-(3-methylmorpholin-4-yl)propanamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-2-(3-methylmorpholin-4-yl)propanamide
PubChem CID43541684
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-(4-amino-2-methylphenyl)-2-(3-methylmorpholin-4-yl)propanamide
SMILESCc1cc(N)ccc1NC(=O)C(C)N1CCOCC1C
InChIInChI=1S/C15H23N3O2/c1-10-8-13(16)4-5-14(10)17-15(19)12(3)18-6-7-20-9-11(18)2/h4-5,8,11-12H,6-7,9,16H2,1-3H3,(H,17,19)
InChIKeyQABPNSFQQGFHST-UHFFFAOYSA-N
XLogP1.62
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.62
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-(4-amino-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 16778867
N-(4-amino-2-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 16779551
N-(4-amino-2-methylphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)propanamide
CID 62989125
N-(4-amino-2-methylphenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)propanamide
CID 106667934
N-(5-amino-2-methylphenyl)-2-(2,5-dimethylmorpholin-4-yl)propanamide
CID 43544200
2-(3-methylmorpholin-4-yl)propanehydrazide
CID 63573861
N-(4-amino-2-methylphenyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)propanamide
CID 114677853
N-(4-amino-2-methylphenyl)-2-methylpropanamide
CID 960642
N-(4-amino-2-methylphenyl)-2-(3-hydroxypiperidin-1-yl)propanamide
CID 43575281
N-(5-amino-2-fluorophenyl)-2-(2-methylpiperidin-1-yl)propanamide
CID 16779221
N-(5-amino-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 16779419

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-2-(3-methylmorpholin-4-yl)propanamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-2-(3-methylmorpholin-4-yl)propanamide (CID 43541684) is N-(4-amino-2-methylphenyl)-2-(3-methylmorpholin-4-yl)propanamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-2-(3-methylmorpholin-4-yl)propanamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-2-(3-methylmorpholin-4-yl)propanamide is Cc1cc(N)ccc1NC(=O)C(C)N1CCOCC1C.
What is the InChIKey of N-(4-amino-2-methylphenyl)-2-(3-methylmorpholin-4-yl)propanamide?
The InChIKey is QABPNSFQQGFHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10-8-13(16)4-5-14(10)17-15(19)12(3)18-6-7-20-9-11(18)2/h4-5,8,11-12H,6-7,9,16H2,1-3H3,(H,17,19).
What are the key properties of N-(4-amino-2-methylphenyl)-2-(3-methylmorpholin-4-yl)propanamide?
N-(4-amino-2-methylphenyl)-2-(3-methylmorpholin-4-yl)propanamide has a molecular weight of 277.37 g/mol, XLogP of 1.62, 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-methylphenyl)-2-(3-methylmorpholin-4-yl)propanamide is sourced from PubChem (CID 43541684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).