N,N-diethyl-2-[3-(propylaminomethyl)phenoxy]propanamide

C17H28N2O2 — CID 43278392

IUPACN,N-diethyl-2-[3-(propylaminomethyl)phenoxy]propanamide
SMILESCCCNCc1cccc(OC(C)C(=O)N(CC)CC)c1
InChIInChI=1S/C17H28N2O2/c1-5-11-18-13-15-9-8-10-16(12-15)21-14(4)17(20)19(6-2)7-3/h8-10,12,14,18H,5-7,11,13H2,1-4H3
InChIKeyGVOODUZKJIUYMC-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.82
Rot. Bonds9

About N,N-diethyl-2-[3-(propylaminomethyl)phenoxy]propanamide

N,N-diethyl-2-[3-(propylaminomethyl)phenoxy]propanamide (PubChem CID 43278392) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N,N-diethyl-2-[3-(propylaminomethyl)phenoxy]propanamide.

Molecular Properties

Compound NameN,N-diethyl-2-[3-(propylaminomethyl)phenoxy]propanamide
PubChem CID43278392
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN,N-diethyl-2-[3-(propylaminomethyl)phenoxy]propanamide
SMILESCCCNCc1cccc(OC(C)C(=O)N(CC)CC)c1
InChIInChI=1S/C17H28N2O2/c1-5-11-18-13-15-9-8-10-16(12-15)21-14(4)17(20)19(6-2)7-3/h8-10,12,14,18H,5-7,11,13H2,1-4H3
InChIKeyGVOODUZKJIUYMC-UHFFFAOYSA-N
XLogP2.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(3-chlorophenoxy)-N,N-diethylpropanamide
CID 40538344
N,N-diethyl-2-(3-methoxyphenoxy)propanamide
CID 19203980
2-[3-[(3-aminopropylamino)methyl]phenoxy]propanoic acid
CID 70806512
N-[(3-butan-2-yloxyphenyl)methyl]hexadecan-1-amine
CID 54847916
N-methyl-2-[3-(propylaminomethyl)phenoxy]acetamide
CID 43278420
2-[3-(methylaminomethyl)phenoxy]-N-pentylpropanamide
CID 43278248
N,N-diethyl-2-[(3-methoxyphenyl)methylamino]acetamide
CID 60690684
N-[(3-butan-2-yloxyphenyl)methyl]ethanamine
CID 43278347
methyl 3-[3-(propylaminomethyl)phenoxy]propanoate
CID 63949501
N-[(3-butan-2-yloxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 54849186
ethyl (2R)-2-[3-[[3-(4-methoxyphenoxy)propylamino]methyl]phenoxy]propanoate
CID 70806375
N-[[3-(2-methoxyethoxy)phenyl]methyl]propan-1-amine
CID 39246100

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[3-(propylaminomethyl)phenoxy]propanamide?
The IUPAC name of N,N-diethyl-2-[3-(propylaminomethyl)phenoxy]propanamide (CID 43278392) is N,N-diethyl-2-[3-(propylaminomethyl)phenoxy]propanamide.
What is the SMILES notation for N,N-diethyl-2-[3-(propylaminomethyl)phenoxy]propanamide?
The canonical SMILES for N,N-diethyl-2-[3-(propylaminomethyl)phenoxy]propanamide is CCCNCc1cccc(OC(C)C(=O)N(CC)CC)c1.
What is the InChIKey of N,N-diethyl-2-[3-(propylaminomethyl)phenoxy]propanamide?
The InChIKey is GVOODUZKJIUYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-11-18-13-15-9-8-10-16(12-15)21-14(4)17(20)19(6-2)7-3/h8-10,12,14,18H,5-7,11,13H2,1-4H3.
What are the key properties of N,N-diethyl-2-[3-(propylaminomethyl)phenoxy]propanamide?
N,N-diethyl-2-[3-(propylaminomethyl)phenoxy]propanamide has a molecular weight of 292.42 g/mol, XLogP of 2.82, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[3-(propylaminomethyl)phenoxy]propanamide is sourced from PubChem (CID 43278392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).