3-(3-amino-5-ethoxy-N-methylanilino)-N,2-dimethylpropanamide

C14H23N3O2 — CID 106914296

IUPAC3-(3-amino-5-ethoxy-N-methylanilino)-N,2-dimethylpropanamide
SMILESCCOc1cc(N)cc(N(C)CC(C)C(=O)NC)c1
InChIInChI=1S/C14H23N3O2/c1-5-19-13-7-11(15)6-12(8-13)17(4)9-10(2)14(18)16-3/h6-8,10H,5,9,15H2,1-4H3,(H,16,18)
InChIKeyMMYNCQWKPDHBGL-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.49
Rot. Bonds6

About 3-(3-amino-5-ethoxy-N-methylanilino)-N,2-dimethylpropanamide

3-(3-amino-5-ethoxy-N-methylanilino)-N,2-dimethylpropanamide (PubChem CID 106914296) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-(3-amino-5-ethoxy-N-methylanilino)-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-(3-amino-5-ethoxy-N-methylanilino)-N,2-dimethylpropanamide
PubChem CID106914296
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-(3-amino-5-ethoxy-N-methylanilino)-N,2-dimethylpropanamide
SMILESCCOc1cc(N)cc(N(C)CC(C)C(=O)NC)c1
InChIInChI=1S/C14H23N3O2/c1-5-19-13-7-11(15)6-12(8-13)17(4)9-10(2)14(18)16-3/h6-8,10H,5,9,15H2,1-4H3,(H,16,18)
InChIKeyMMYNCQWKPDHBGL-UHFFFAOYSA-N
XLogP1.49
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-5-ethoxy-N-methylanilino)-N,2-dimethylpropanamide?
The IUPAC name of 3-(3-amino-5-ethoxy-N-methylanilino)-N,2-dimethylpropanamide (CID 106914296) is 3-(3-amino-5-ethoxy-N-methylanilino)-N,2-dimethylpropanamide.
What is the SMILES notation for 3-(3-amino-5-ethoxy-N-methylanilino)-N,2-dimethylpropanamide?
The canonical SMILES for 3-(3-amino-5-ethoxy-N-methylanilino)-N,2-dimethylpropanamide is CCOc1cc(N)cc(N(C)CC(C)C(=O)NC)c1.
What is the InChIKey of 3-(3-amino-5-ethoxy-N-methylanilino)-N,2-dimethylpropanamide?
The InChIKey is MMYNCQWKPDHBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-5-19-13-7-11(15)6-12(8-13)17(4)9-10(2)14(18)16-3/h6-8,10H,5,9,15H2,1-4H3,(H,16,18).
What are the key properties of 3-(3-amino-5-ethoxy-N-methylanilino)-N,2-dimethylpropanamide?
3-(3-amino-5-ethoxy-N-methylanilino)-N,2-dimethylpropanamide has a molecular weight of 265.36 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-5-ethoxy-N-methylanilino)-N,2-dimethylpropanamide is sourced from PubChem (CID 106914296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).