propan-2-yl 2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]acetate

C17H27NO3 — CID 63641331

IUPACpropan-2-yl 2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]acetate
SMILESCCCNC(C)c1ccc(C)cc1OCC(=O)OC(C)C
InChIInChI=1S/C17H27NO3/c1-6-9-18-14(5)15-8-7-13(4)10-16(15)20-11-17(19)21-12(2)3/h7-8,10,12,14,18H,6,9,11H2,1-5H3
InChIKeyZSHLCGVDKQMWAX-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.39
Rot. Bonds8

About propan-2-yl 2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]acetate

propan-2-yl 2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]acetate (PubChem CID 63641331) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is propan-2-yl 2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]acetate
PubChem CID63641331
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Namepropan-2-yl 2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]acetate
SMILESCCCNC(C)c1ccc(C)cc1OCC(=O)OC(C)C
InChIInChI=1S/C17H27NO3/c1-6-9-18-14(5)15-8-7-13(4)10-16(15)20-11-17(19)21-12(2)3/h7-8,10,12,14,18H,6,9,11H2,1-5H3
InChIKeyZSHLCGVDKQMWAX-UHFFFAOYSA-N
XLogP3.39
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]-N-propylacetamide
CID 63640126
N,N-dimethyl-2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]acetamide
CID 63640123
propan-2-yl 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 54941393
N-(cyanomethyl)-2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]acetamide
CID 63640138
3-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]propanamide
CID 63639953
N-[1-[2-(2-methoxyethoxy)-4-methylphenyl]ethyl]propan-1-amine
CID 55246297
N-[1-[4-methyl-2-(3,3,3-trifluoropropoxy)phenyl]ethyl]propan-1-amine
CID 64554154
N-cyclopropyl-2-[4-methyl-2-[1-(propylamino)ethyl]phenoxy]acetamide
CID 43505232
5-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]pentanenitrile
CID 63640292
2-[2-[1-(ethylamino)ethyl]-5-methylphenoxy]-N-methyl-N-propan-2-ylacetamide
CID 63640979
propan-2-yl 2-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]acetate
CID 63323185
propan-2-yl 2-(2-acetyl-4-methylphenoxy)acetate
CID 54942552

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]acetate?
The IUPAC name of propan-2-yl 2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]acetate (CID 63641331) is propan-2-yl 2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]acetate.
What is the SMILES notation for propan-2-yl 2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]acetate?
The canonical SMILES for propan-2-yl 2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]acetate is CCCNC(C)c1ccc(C)cc1OCC(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]acetate?
The InChIKey is ZSHLCGVDKQMWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-6-9-18-14(5)15-8-7-13(4)10-16(15)20-11-17(19)21-12(2)3/h7-8,10,12,14,18H,6,9,11H2,1-5H3.
What are the key properties of propan-2-yl 2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]acetate?
propan-2-yl 2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]acetate has a molecular weight of 293.41 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]acetate is sourced from PubChem (CID 63641331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).