N-ethyl-2-[4-methyl-2-[1-(propylamino)ethyl]phenoxy]propanamide

C17H28N2O2 — CID 43505214

IUPACN-ethyl-2-[4-methyl-2-[1-(propylamino)ethyl]phenoxy]propanamide
SMILESCCCNC(C)c1cc(C)ccc1OC(C)C(=O)NCC
InChIInChI=1S/C17H28N2O2/c1-6-10-19-13(4)15-11-12(3)8-9-16(15)21-14(5)17(20)18-7-2/h8-9,11,13-14,19H,6-7,10H2,1-5H3,(H,18,20)
InChIKeyAYUULPDAVNRAJT-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.96
Rot. Bonds8

About N-ethyl-2-[4-methyl-2-[1-(propylamino)ethyl]phenoxy]propanamide

N-ethyl-2-[4-methyl-2-[1-(propylamino)ethyl]phenoxy]propanamide (PubChem CID 43505214) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-ethyl-2-[4-methyl-2-[1-(propylamino)ethyl]phenoxy]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[4-methyl-2-[1-(propylamino)ethyl]phenoxy]propanamide
PubChem CID43505214
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-ethyl-2-[4-methyl-2-[1-(propylamino)ethyl]phenoxy]propanamide
SMILESCCCNC(C)c1cc(C)ccc1OC(C)C(=O)NCC
InChIInChI=1S/C17H28N2O2/c1-6-10-19-13(4)15-11-12(3)8-9-16(15)21-14(5)17(20)18-7-2/h8-9,11,13-14,19H,6-7,10H2,1-5H3,(H,18,20)
InChIKeyAYUULPDAVNRAJT-UHFFFAOYSA-N
XLogP2.96
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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

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Related Compounds

2-[2-(1-hydroxyethyl)-4-methylphenoxy]-N-propylpropanamide
CID 43505240
2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-propylpropanamide
CID 62392946
(2R)-2-(2-bromo-4-methylphenoxy)-N-ethylpropanamide
CID 8643879
2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-pentylpropanamide
CID 63367218
2-[2-[1-(ethylamino)ethyl]-4-methylphenoxy]-N,N-dimethylpropanamide
CID 43505161
2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]-N-propylpropanamide
CID 63639602
3-[2-[1-(ethylamino)-1-oxopropan-2-yl]oxy-5-methylphenyl]prop-2-enoic acid
CID 77011446
N-ethyl-2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propanamide
CID 79150446
N-cyclopropyl-2-[4-methyl-2-[1-(propylamino)ethyl]phenoxy]acetamide
CID 43505232
2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-pentan-3-ylpropanamide
CID 63366476
N-[1-[5-methyl-2-(3-methylbut-3-enoxy)phenyl]ethyl]propan-1-amine
CID 114471492
2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]-N-propylacetamide
CID 63640126

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-methyl-2-[1-(propylamino)ethyl]phenoxy]propanamide?
The IUPAC name of N-ethyl-2-[4-methyl-2-[1-(propylamino)ethyl]phenoxy]propanamide (CID 43505214) is N-ethyl-2-[4-methyl-2-[1-(propylamino)ethyl]phenoxy]propanamide.
What is the SMILES notation for N-ethyl-2-[4-methyl-2-[1-(propylamino)ethyl]phenoxy]propanamide?
The canonical SMILES for N-ethyl-2-[4-methyl-2-[1-(propylamino)ethyl]phenoxy]propanamide is CCCNC(C)c1cc(C)ccc1OC(C)C(=O)NCC.
What is the InChIKey of N-ethyl-2-[4-methyl-2-[1-(propylamino)ethyl]phenoxy]propanamide?
The InChIKey is AYUULPDAVNRAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-6-10-19-13(4)15-11-12(3)8-9-16(15)21-14(5)17(20)18-7-2/h8-9,11,13-14,19H,6-7,10H2,1-5H3,(H,18,20).
What are the key properties of N-ethyl-2-[4-methyl-2-[1-(propylamino)ethyl]phenoxy]propanamide?
N-ethyl-2-[4-methyl-2-[1-(propylamino)ethyl]phenoxy]propanamide has a molecular weight of 292.42 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-methyl-2-[1-(propylamino)ethyl]phenoxy]propanamide is sourced from PubChem (CID 43505214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).