N-(4-amino-2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide

C13H20N3O2+ — CID 6969782

IUPACN-(4-amino-2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide
SMILESCc1cc(N)ccc1NC(=O)C[NH+]1CCOCC1
InChIInChI=1S/C13H19N3O2/c1-10-8-11(14)2-3-12(10)15-13(17)9-16-4-6-18-7-5-16/h2-3,8H,4-7,9,14H2,1H3,(H,15,17)/p+1
InChIKeyICIRQQCLYMQVPI-UHFFFAOYSA-O
MW250.32 g/mol
LogP-0.57
Rot. Bonds3

About N-(4-amino-2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide

N-(4-amino-2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide (PubChem CID 6969782) has the molecular formula C13H20N3O2+ and a molecular weight of 250.32 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide
PubChem CID6969782
Molecular FormulaC13H20N3O2+
Molecular Weight250.32 g/mol
Exact Mass250.16
IUPAC NameN-(4-amino-2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide
SMILESCc1cc(N)ccc1NC(=O)C[NH+]1CCOCC1
InChIInChI=1S/C13H19N3O2/c1-10-8-11(14)2-3-12(10)15-13(17)9-16-4-6-18-7-5-16/h2-3,8H,4-7,9,14H2,1H3,(H,15,17)/p+1
InChIKeyICIRQQCLYMQVPI-UHFFFAOYSA-O
XLogP-0.57
TPSA68.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-methylphenyl)propanamide
CID 839309
N-(4-amino-2-methylphenyl)-2-(oxan-4-yloxy)acetamide
CID 61289356
N-(3-chloro-2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide
CID 6993865
N-(4-amino-2-methylphenyl)-2-(3,4-dichlorophenyl)acetamide
CID 63045442
N-(2,4-dimethylphenyl)-2-piperazine-1,4-diium-1-ylacetamide
CID 2409066
N-(4-amino-2-methylphenyl)-2-(oxolan-2-yl)acetamide
CID 65152082
N-(4-amino-2-methylphenyl)-3-methylbutanamide
CID 960629
N-(2-ethyl-6-methylphenyl)-2-morpholin-4-ium-4-ylacetamide
CID 6951792
N-(5-methoxy-2-methyl-4-nitrophenyl)-2-morpholin-4-ium-4-ylacetamide
CID 8903926
N-(2-methylnaphthalen-1-yl)-2-morpholin-4-ium-4-ylacetamide
CID 6951819
ethyl 4-[2-(2,4-dimethylanilino)-2-oxoethyl]piperazin-4-ium-1-carboxylate
CID 2654232
N-(4-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide
CID 63951302

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide (CID 6969782) is N-(4-amino-2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide is Cc1cc(N)ccc1NC(=O)C[NH+]1CCOCC1.
What is the InChIKey of N-(4-amino-2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide?
The InChIKey is ICIRQQCLYMQVPI-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H19N3O2/c1-10-8-11(14)2-3-12(10)15-13(17)9-16-4-6-18-7-5-16/h2-3,8H,4-7,9,14H2,1H3,(H,15,17)/p+1.
What are the key properties of N-(4-amino-2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide?
N-(4-amino-2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide has a molecular weight of 250.32 g/mol, XLogP of -0.57, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide is sourced from PubChem (CID 6969782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).