3-amino-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]-2-methyl-3-phenylpropanamide

C22H30N2O3 — CID 119811618

IUPAC3-amino-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]-2-methyl-3-phenylpropanamide
SMILESCOCCCOc1cc(C)ccc1CNC(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C22H30N2O3/c1-16-10-11-19(20(14-16)27-13-7-12-26-3)15-24-22(25)17(2)21(23)18-8-5-4-6-9-18/h4-6,8-11,14,17,21H,7,12-13,15,23H2,1-3H3,(H,24,25)
InChIKeyYMYGVGXPPHNGAK-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.36
Rot. Bonds10

About 3-amino-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]-2-methyl-3-phenylpropanamide

3-amino-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]-2-methyl-3-phenylpropanamide (PubChem CID 119811618) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 3-amino-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]-2-methyl-3-phenylpropanamide
PubChem CID119811618
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name3-amino-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]-2-methyl-3-phenylpropanamide
SMILESCOCCCOc1cc(C)ccc1CNC(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C22H30N2O3/c1-16-10-11-19(20(14-16)27-13-7-12-26-3)15-24-22(25)17(2)21(23)18-8-5-4-6-9-18/h4-6,8-11,14,17,21H,7,12-13,15,23H2,1-3H3,(H,24,25)
InChIKeyYMYGVGXPPHNGAK-UHFFFAOYSA-N
XLogP3.36
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.36
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

3-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119726873
3-amino-N-(4-methoxybutyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119722375
(2S)-2-amino-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-4-methylpentanamide
CID 119811330
3-[[2-(3-methoxypropoxy)-4-methylphenyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122005901
3-amino-2-methyl-N-[3-(2-methylphenoxy)propyl]-3-phenylpropanamide
CID 119772263
2-(4-aminophenyl)-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]acetamide;hydrochloride
CID 119811607
3-amino-N-[(2-ethoxy-4-methylphenyl)methyl]-3-phenylpropanamide
CID 119952264
3-amino-2-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide
CID 120501924
2-amino-3-methoxy-N-[(2-methoxy-4-methylphenyl)methyl]propanamide
CID 120992441
2-amino-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]-2-methylpentanamide
CID 119811650
2-amino-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-methylpropanamide
CID 119339379
3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-methyl-3-phenylpropanamide
CID 115738057

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]-2-methyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]-2-methyl-3-phenylpropanamide (CID 119811618) is 3-amino-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]-2-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]-2-methyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]-2-methyl-3-phenylpropanamide is COCCCOc1cc(C)ccc1CNC(=O)C(C)C(N)c1ccccc1.
What is the InChIKey of 3-amino-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]-2-methyl-3-phenylpropanamide?
The InChIKey is YMYGVGXPPHNGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-16-10-11-19(20(14-16)27-13-7-12-26-3)15-24-22(25)17(2)21(23)18-8-5-4-6-9-18/h4-6,8-11,14,17,21H,7,12-13,15,23H2,1-3H3,(H,24,25).
What are the key properties of 3-amino-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]-2-methyl-3-phenylpropanamide?
3-amino-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]-2-methyl-3-phenylpropanamide has a molecular weight of 370.49 g/mol, XLogP of 3.36, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 119811618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).