3-(2-amino-3-ethoxy-N-methylanilino)-N-methylpropanamide

C13H21N3O2 — CID 106914206

IUPAC3-(2-amino-3-ethoxy-N-methylanilino)-N-methylpropanamide
SMILESCCOc1cccc(N(C)CCC(=O)NC)c1N
InChIInChI=1S/C13H21N3O2/c1-4-18-11-7-5-6-10(13(11)14)16(3)9-8-12(17)15-2/h5-7H,4,8-9,14H2,1-3H3,(H,15,17)
InChIKeyIWIMYKKNXZVKCQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.24
Rot. Bonds6

About 3-(2-amino-3-ethoxy-N-methylanilino)-N-methylpropanamide

3-(2-amino-3-ethoxy-N-methylanilino)-N-methylpropanamide (PubChem CID 106914206) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-(2-amino-3-ethoxy-N-methylanilino)-N-methylpropanamide.

Molecular Properties

Compound Name3-(2-amino-3-ethoxy-N-methylanilino)-N-methylpropanamide
PubChem CID106914206
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-(2-amino-3-ethoxy-N-methylanilino)-N-methylpropanamide
SMILESCCOc1cccc(N(C)CCC(=O)NC)c1N
InChIInChI=1S/C13H21N3O2/c1-4-18-11-7-5-6-10(13(11)14)16(3)9-8-12(17)15-2/h5-7H,4,8-9,14H2,1-3H3,(H,15,17)
InChIKeyIWIMYKKNXZVKCQ-UHFFFAOYSA-N
XLogP1.24
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.24
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

3-(3-amino-N-methyl-2-nitroanilino)-N-methylpropanamide
CID 106918451
3-ethoxy-1-N,1-N-dipropylbenzene-1,2-diamine
CID 113392453
3-[2-(ethylaminomethyl)-N-methylanilino]-N-methylpropanamide
CID 106916760
3-(2-amino-N-methyl-3-propan-2-yloxyanilino)-N,2-dimethylpropanamide
CID 106914387
4-[(2-amino-3-ethoxy-N-methylanilino)methyl]oxan-4-ol
CID 114947773
3-(3-hydrazinyl-N-methyl-2-nitroanilino)-N-methylpropanamide
CID 106918774
3-(3-chloro-2-cyano-N-methylanilino)-N-methylpropanamide
CID 106915465
3-[(2-cyano-3-pyridinyl)-methylamino]-N-methylpropanamide
CID 106915472
3-(2-amino-N-ethylanilino)-N-methylpropanamide
CID 62324074
3-amino-4-[methyl-[3-(methylamino)-3-oxopropyl]amino]benzamide
CID 106914247
2-amino-3-ethoxybenzamide
CID 70121071
methyl 3-amino-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]pyridine-4-carboxylate
CID 106917726

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-3-ethoxy-N-methylanilino)-N-methylpropanamide?
The IUPAC name of 3-(2-amino-3-ethoxy-N-methylanilino)-N-methylpropanamide (CID 106914206) is 3-(2-amino-3-ethoxy-N-methylanilino)-N-methylpropanamide.
What is the SMILES notation for 3-(2-amino-3-ethoxy-N-methylanilino)-N-methylpropanamide?
The canonical SMILES for 3-(2-amino-3-ethoxy-N-methylanilino)-N-methylpropanamide is CCOc1cccc(N(C)CCC(=O)NC)c1N.
What is the InChIKey of 3-(2-amino-3-ethoxy-N-methylanilino)-N-methylpropanamide?
The InChIKey is IWIMYKKNXZVKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-18-11-7-5-6-10(13(11)14)16(3)9-8-12(17)15-2/h5-7H,4,8-9,14H2,1-3H3,(H,15,17).
What are the key properties of 3-(2-amino-3-ethoxy-N-methylanilino)-N-methylpropanamide?
3-(2-amino-3-ethoxy-N-methylanilino)-N-methylpropanamide has a molecular weight of 251.33 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-3-ethoxy-N-methylanilino)-N-methylpropanamide is sourced from PubChem (CID 106914206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).