2-(3-aminophenyl)-N-methoxy-N-methylpropanamide

C11H16N2O2 — CID 106590965

IUPAC2-(3-aminophenyl)-N-methoxy-N-methylpropanamide
SMILESCON(C)C(=O)C(C)c1cccc(N)c1
InChIInChI=1S/C11H16N2O2/c1-8(11(14)13(2)15-3)9-5-4-6-10(12)7-9/h4-8H,12H2,1-3H3
InChIKeyYMMCJEDWIDRWFO-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.39
Rot. Bonds3

About 2-(3-aminophenyl)-N-methoxy-N-methylpropanamide

2-(3-aminophenyl)-N-methoxy-N-methylpropanamide (PubChem CID 106590965) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-methoxy-N-methylpropanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-methoxy-N-methylpropanamide
PubChem CID106590965
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-(3-aminophenyl)-N-methoxy-N-methylpropanamide
SMILESCON(C)C(=O)C(C)c1cccc(N)c1
InChIInChI=1S/C11H16N2O2/c1-8(11(14)13(2)15-3)9-5-4-6-10(12)7-9/h4-8H,12H2,1-3H3
InChIKeyYMMCJEDWIDRWFO-UHFFFAOYSA-N
XLogP1.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenyl)-N,N-bis(2-methoxyethyl)propanamide
CID 106590951
2-(3-aminophenyl)-N-methyl-N-pentan-3-ylpropanamide
CID 106590925
methyl N-[1-(3-aminophenyl)ethyl]-N-methylcarbamate
CID 43551139
2-(3-aminophenyl)-N-methyl-N-prop-2-enylpropanamide
CID 106591692
2-(3-aminophenyl)propanoate
CID 71650577
N-[1-(3-aminophenyl)ethyl]-2-methoxy-N-methylacetamide
CID 61278164
2-hydroxypropyl 2-(3-aminophenyl)propanoate
CID 106592560
2-(3-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylpropanamide
CID 106591019
2-(3-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylpropanamide
CID 106591084
2-(3-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpropanamide
CID 106591163
2-(3-aminophenyl)-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide
CID 106591109
2-(3-aminophenyl)-N-ethyl-N-(2-ethylbutyl)propanamide
CID 106590949

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-methoxy-N-methylpropanamide?
The IUPAC name of 2-(3-aminophenyl)-N-methoxy-N-methylpropanamide (CID 106590965) is 2-(3-aminophenyl)-N-methoxy-N-methylpropanamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-methoxy-N-methylpropanamide?
The canonical SMILES for 2-(3-aminophenyl)-N-methoxy-N-methylpropanamide is CON(C)C(=O)C(C)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-methoxy-N-methylpropanamide?
The InChIKey is YMMCJEDWIDRWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8(11(14)13(2)15-3)9-5-4-6-10(12)7-9/h4-8H,12H2,1-3H3.
What are the key properties of 2-(3-aminophenyl)-N-methoxy-N-methylpropanamide?
2-(3-aminophenyl)-N-methoxy-N-methylpropanamide has a molecular weight of 208.26 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-methoxy-N-methylpropanamide is sourced from PubChem (CID 106590965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).