N,N-diethyl-2-[4-[1-(ethylamino)ethyl]phenoxy]propanamide

C17H28N2O2 — CID 43279277

IUPACN,N-diethyl-2-[4-[1-(ethylamino)ethyl]phenoxy]propanamide
SMILESCCNC(C)c1ccc(OC(C)C(=O)N(CC)CC)cc1
InChIInChI=1S/C17H28N2O2/c1-6-18-13(4)15-9-11-16(12-10-15)21-14(5)17(20)19(7-2)8-3/h9-14,18H,6-8H2,1-5H3
InChIKeyHTRFEWJHJITKNV-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.99
Rot. Bonds8

About N,N-diethyl-2-[4-[1-(ethylamino)ethyl]phenoxy]propanamide

N,N-diethyl-2-[4-[1-(ethylamino)ethyl]phenoxy]propanamide (PubChem CID 43279277) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N,N-diethyl-2-[4-[1-(ethylamino)ethyl]phenoxy]propanamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-[1-(ethylamino)ethyl]phenoxy]propanamide
PubChem CID43279277
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN,N-diethyl-2-[4-[1-(ethylamino)ethyl]phenoxy]propanamide
SMILESCCNC(C)c1ccc(OC(C)C(=O)N(CC)CC)cc1
InChIInChI=1S/C17H28N2O2/c1-6-18-13(4)15-9-11-16(12-10-15)21-14(5)17(20)19(7-2)8-3/h9-14,18H,6-8H2,1-5H3
InChIKeyHTRFEWJHJITKNV-UHFFFAOYSA-N
XLogP2.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(1S)-1-aminoethyl]phenoxy]-N,N-diethylpropanamide
CID 63367483
2-(4-tert-butylphenoxy)-N,N-diethylpropanamide
CID 19204171
2-(4-cyanophenoxy)-N,N-diethylpropanamide
CID 43083146
N-ethyl-1-[4-(4-methylpentan-2-yloxy)phenyl]ethanamine
CID 43285161
(1R)-1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine
CID 93007249
methyl 2-[ethyl-[2-(4-methoxyphenoxy)propanoyl]amino]acetate
CID 61383641
ethyl 2-[4-[1-(ethylamino)ethyl]phenoxy]butanoate
CID 64668116
(2R)-2-(3,5-dimethylphenoxy)-N,N-diethylpropanamide
CID 9173438
(2S)-2-(3-chlorophenoxy)-N,N-diethylpropanamide
CID 40538344
N,N-diethyl-2-(3-methoxyphenoxy)propanamide
CID 19203980
N,N-diethyl-2-(7-hydroxynaphthalen-2-yl)oxypropanamide
CID 43143630
2-(1,3-benzodioxol-5-yloxy)-N,N-diethylpropanamide
CID 45147826

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-[1-(ethylamino)ethyl]phenoxy]propanamide?
The IUPAC name of N,N-diethyl-2-[4-[1-(ethylamino)ethyl]phenoxy]propanamide (CID 43279277) is N,N-diethyl-2-[4-[1-(ethylamino)ethyl]phenoxy]propanamide.
What is the SMILES notation for N,N-diethyl-2-[4-[1-(ethylamino)ethyl]phenoxy]propanamide?
The canonical SMILES for N,N-diethyl-2-[4-[1-(ethylamino)ethyl]phenoxy]propanamide is CCNC(C)c1ccc(OC(C)C(=O)N(CC)CC)cc1.
What is the InChIKey of N,N-diethyl-2-[4-[1-(ethylamino)ethyl]phenoxy]propanamide?
The InChIKey is HTRFEWJHJITKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-6-18-13(4)15-9-11-16(12-10-15)21-14(5)17(20)19(7-2)8-3/h9-14,18H,6-8H2,1-5H3.
What are the key properties of N,N-diethyl-2-[4-[1-(ethylamino)ethyl]phenoxy]propanamide?
N,N-diethyl-2-[4-[1-(ethylamino)ethyl]phenoxy]propanamide has a molecular weight of 292.42 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-[1-(ethylamino)ethyl]phenoxy]propanamide is sourced from PubChem (CID 43279277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).