2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]-N-propylacetamide

C17H28N2O2 — CID 63640126

IUPAC2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]-N-propylacetamide
SMILESCCCNC(=O)COc1cc(C)ccc1C(C)NCCC
InChIInChI=1S/C17H28N2O2/c1-5-9-18-14(4)15-8-7-13(3)11-16(15)21-12-17(20)19-10-6-2/h7-8,11,14,18H,5-6,9-10,12H2,1-4H3,(H,19,20)
InChIKeyFNQDDTIVYQSGBI-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.96
Rot. Bonds9

About 2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]-N-propylacetamide

2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]-N-propylacetamide (PubChem CID 63640126) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]-N-propylacetamide.

Molecular Properties

Compound Name2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]-N-propylacetamide
PubChem CID63640126
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]-N-propylacetamide
SMILESCCCNC(=O)COc1cc(C)ccc1C(C)NCCC
InChIInChI=1S/C17H28N2O2/c1-5-9-18-14(4)15-8-7-13(3)11-16(15)21-12-17(20)19-10-6-2/h7-8,11,14,18H,5-6,9-10,12H2,1-4H3,(H,19,20)
InChIKeyFNQDDTIVYQSGBI-UHFFFAOYSA-N
XLogP2.96
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]-N-propylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyanomethyl)-2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]acetamide
CID 63640138
propan-2-yl 2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]acetate
CID 63641331
N,N-dimethyl-2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]acetamide
CID 63640123
N-propyl-2-[2-[1-(propylamino)ethyl]phenoxy]acetamide
CID 43279683
3-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]propanamide
CID 63639953
N-[1-[2-(2-methoxyethoxy)-4-methylphenyl]ethyl]propan-1-amine
CID 55246297
(2R)-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-propylpropanamide
CID 7581934
N-cyclopropyl-2-[4-methyl-2-[1-(propylamino)ethyl]phenoxy]acetamide
CID 43505232
2-[5-fluoro-2-[1-(propylamino)ethyl]phenoxy]-N-prop-2-ynylacetamide
CID 63066740
N-(3-ethoxypropyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 78759998
2-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]-N-methylacetamide
CID 82000648
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)acetamide
CID 18823962

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]-N-propylacetamide?
The IUPAC name of 2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]-N-propylacetamide (CID 63640126) is 2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]-N-propylacetamide.
What is the SMILES notation for 2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]-N-propylacetamide?
The canonical SMILES for 2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]-N-propylacetamide is CCCNC(=O)COc1cc(C)ccc1C(C)NCCC.
What is the InChIKey of 2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]-N-propylacetamide?
The InChIKey is FNQDDTIVYQSGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-9-18-14(4)15-8-7-13(3)11-16(15)21-12-17(20)19-10-6-2/h7-8,11,14,18H,5-6,9-10,12H2,1-4H3,(H,19,20).
What are the key properties of 2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]-N-propylacetamide?
2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]-N-propylacetamide has a molecular weight of 292.42 g/mol, XLogP of 2.96, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]-N-propylacetamide is sourced from PubChem (CID 63640126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).