2-methyl-3-(methylamino)-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide

C17H28N2O3 — CID 119754179

IUPAC2-methyl-3-(methylamino)-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide
SMILESCNCC(C)C(=O)Nc1cccc(COCCOC(C)C)c1
InChIInChI=1S/C17H28N2O3/c1-13(2)22-9-8-21-12-15-6-5-7-16(10-15)19-17(20)14(3)11-18-4/h5-7,10,13-14,18H,8-9,11-12H2,1-4H3,(H,19,20)
InChIKeyAOSYUWUTXFHQPU-UHFFFAOYSA-N
MW308.42 g/mol
LogP2.42
Rot. Bonds10

About 2-methyl-3-(methylamino)-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide

2-methyl-3-(methylamino)-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide (PubChem CID 119754179) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide
PubChem CID119754179
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name2-methyl-3-(methylamino)-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide
SMILESCNCC(C)C(=O)Nc1cccc(COCCOC(C)C)c1
InChIInChI=1S/C17H28N2O3/c1-13(2)22-9-8-21-12-15-6-5-7-16(10-15)19-17(20)14(3)11-18-4/h5-7,10,13-14,18H,8-9,11-12H2,1-4H3,(H,19,20)
InChIKeyAOSYUWUTXFHQPU-UHFFFAOYSA-N
XLogP2.42
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(ethoxymethyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119768832
3-amino-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]butanamide
CID 119754191
N-(3-ethylphenyl)-2-methyl-3-(methylamino)propanamide
CID 79196152
N-[2-oxo-2-[3-(2-propan-2-yloxyethoxymethyl)anilino]ethyl]propanamide
CID 86861957
2-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]acetic acid
CID 79202787
1-amino-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]cyclopentane-1-carboxamide
CID 119306444
2-amino-2-phenyl-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide
CID 120590524
N-[3-(cyclohexyloxymethyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119753884
N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]pyrrolidine-3-carboxamide
CID 119754199
(2R)-2-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 119306295
2-methyl-3-(methylamino)-N-[4-(propan-2-yloxymethyl)phenyl]propanamide
CID 119742882
3-[[3-(2-propan-2-yloxyethoxymethyl)anilino]methyl]benzoic acid
CID 122029725

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide?
The IUPAC name of 2-methyl-3-(methylamino)-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide (CID 119754179) is 2-methyl-3-(methylamino)-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide is CNCC(C)C(=O)Nc1cccc(COCCOC(C)C)c1.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide?
The InChIKey is AOSYUWUTXFHQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-13(2)22-9-8-21-12-15-6-5-7-16(10-15)19-17(20)14(3)11-18-4/h5-7,10,13-14,18H,8-9,11-12H2,1-4H3,(H,19,20).
What are the key properties of 2-methyl-3-(methylamino)-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide?
2-methyl-3-(methylamino)-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide has a molecular weight of 308.42 g/mol, XLogP of 2.42, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide is sourced from PubChem (CID 119754179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).