N-(4-aminophenyl)-2-[methoxy(methyl)amino]-N-methylacetamide

C11H17N3O2 — CID 43627611

IUPACN-(4-aminophenyl)-2-[methoxy(methyl)amino]-N-methylacetamide
SMILESCON(C)CC(=O)N(C)c1ccc(N)cc1
InChIInChI=1S/C11H17N3O2/c1-13(16-3)8-11(15)14(2)10-6-4-9(12)5-7-10/h4-7H,8,12H2,1-3H3
InChIKeyGVXUUYNRQXMUOR-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.72
Rot. Bonds4

About N-(4-aminophenyl)-2-[methoxy(methyl)amino]-N-methylacetamide

N-(4-aminophenyl)-2-[methoxy(methyl)amino]-N-methylacetamide (PubChem CID 43627611) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-[methoxy(methyl)amino]-N-methylacetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-[methoxy(methyl)amino]-N-methylacetamide
PubChem CID43627611
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-(4-aminophenyl)-2-[methoxy(methyl)amino]-N-methylacetamide
SMILESCON(C)CC(=O)N(C)c1ccc(N)cc1
InChIInChI=1S/C11H17N3O2/c1-13(16-3)8-11(15)14(2)10-6-4-9(12)5-7-10/h4-7H,8,12H2,1-3H3
InChIKeyGVXUUYNRQXMUOR-UHFFFAOYSA-N
XLogP0.72
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-2-[ethyl(2-methoxyethyl)amino]-N-methylacetamide
CID 61444480
N-(4-aminophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylacetamide
CID 79383876
N-(4-aminophenyl)-2-[ethyl(propan-2-yl)amino]-N-methylacetamide
CID 43375898
N-(4-aminophenyl)-2-[3-(dimethylamino)propyl-methylamino]-N-methylacetamide
CID 63693206
N-(4-aminophenyl)-3-(dimethylamino)-N-methylpropanamide
CID 23506938
N-(4-aminophenyl)-3,3,3-trifluoro-N-methylpropanamide
CID 43114424
N-(4-aminophenyl)-N-methyl-2-[methyl(oxolan-3-yl)amino]acetamide
CID 82733451
N-(4-aminophenyl)-N-methyl-2-[propan-2-yl(propyl)amino]acetamide
CID 43375942
N-(4-aminophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-methylacetamide
CID 43648422
N-(4-aminophenyl)-2-[cyclopentylmethyl(methyl)amino]-N-methylacetamide
CID 63630843
N-(4-aminophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-methylacetamide
CID 114948280
N-(4-aminophenyl)-2-(3,5-dimethylphenoxy)-N-methylacetamide
CID 43376460

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-[methoxy(methyl)amino]-N-methylacetamide?
The IUPAC name of N-(4-aminophenyl)-2-[methoxy(methyl)amino]-N-methylacetamide (CID 43627611) is N-(4-aminophenyl)-2-[methoxy(methyl)amino]-N-methylacetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-[methoxy(methyl)amino]-N-methylacetamide?
The canonical SMILES for N-(4-aminophenyl)-2-[methoxy(methyl)amino]-N-methylacetamide is CON(C)CC(=O)N(C)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-[methoxy(methyl)amino]-N-methylacetamide?
The InChIKey is GVXUUYNRQXMUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-13(16-3)8-11(15)14(2)10-6-4-9(12)5-7-10/h4-7H,8,12H2,1-3H3.
What are the key properties of N-(4-aminophenyl)-2-[methoxy(methyl)amino]-N-methylacetamide?
N-(4-aminophenyl)-2-[methoxy(methyl)amino]-N-methylacetamide has a molecular weight of 223.28 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-[methoxy(methyl)amino]-N-methylacetamide is sourced from PubChem (CID 43627611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).