N-(2-aminoethyl)-N-ethyl-4-(4-methoxyphenoxy)butanamide

C15H24N2O3 — CID 82354393

IUPACN-(2-aminoethyl)-N-ethyl-4-(4-methoxyphenoxy)butanamide
SMILESCCN(CCN)C(=O)CCCOc1ccc(OC)cc1
InChIInChI=1S/C15H24N2O3/c1-3-17(11-10-16)15(18)5-4-12-20-14-8-6-13(19-2)7-9-14/h6-9H,3-5,10-12,16H2,1-2H3
InChIKeyJSNAEVQDOKNMOK-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.66
Rot. Bonds9

About N-(2-aminoethyl)-N-ethyl-4-(4-methoxyphenoxy)butanamide

N-(2-aminoethyl)-N-ethyl-4-(4-methoxyphenoxy)butanamide (PubChem CID 82354393) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-ethyl-4-(4-methoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-ethyl-4-(4-methoxyphenoxy)butanamide
PubChem CID82354393
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN-(2-aminoethyl)-N-ethyl-4-(4-methoxyphenoxy)butanamide
SMILESCCN(CCN)C(=O)CCCOc1ccc(OC)cc1
InChIInChI=1S/C15H24N2O3/c1-3-17(11-10-16)15(18)5-4-12-20-14-8-6-13(19-2)7-9-14/h6-9H,3-5,10-12,16H2,1-2H3
InChIKeyJSNAEVQDOKNMOK-UHFFFAOYSA-N
XLogP1.66
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[2-(4-bromophenoxy)ethyl]-N-ethylpropanamide
CID 119336178
3-[ethyl-[4-(4-fluorophenoxy)butanoyl]amino]propanoic acid
CID 61006801
4-(4-methoxyphenoxy)-N-methyl-N-propan-2-ylbutanamide
CID 86920290
N-(2-aminoethyl)-N-ethyl-2-(3-methoxyphenoxy)acetamide
CID 82354386
N-(3-bromopropyl)-N-ethyl-3-(4-methoxyphenyl)propanamide
CID 113469211
4-chloro-N-ethyl-N-[(4-methoxyphenyl)methyl]butanamide
CID 63307538
N-(3-amino-2,2-dimethylpropyl)-4-(4-methoxyphenoxy)-N-methylbutanamide
CID 119652528
N-(3-aminopropyl)-N-ethyl-4-methoxybenzamide
CID 43136513
2-[3-(4-methoxyphenoxy)propanoyl-propylamino]acetic acid
CID 61013285
N-ethyl-4-phenoxy-N-prop-2-enylbutanamide
CID 84558793
methyl 2-[ethyl(4-phenoxybutanoyl)amino]acetate
CID 61383353
N-ethyl-4-(4-methoxyphenoxy)butanamide
CID 21173657

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-ethyl-4-(4-methoxyphenoxy)butanamide?
The IUPAC name of N-(2-aminoethyl)-N-ethyl-4-(4-methoxyphenoxy)butanamide (CID 82354393) is N-(2-aminoethyl)-N-ethyl-4-(4-methoxyphenoxy)butanamide.
What is the SMILES notation for N-(2-aminoethyl)-N-ethyl-4-(4-methoxyphenoxy)butanamide?
The canonical SMILES for N-(2-aminoethyl)-N-ethyl-4-(4-methoxyphenoxy)butanamide is CCN(CCN)C(=O)CCCOc1ccc(OC)cc1.
What is the InChIKey of N-(2-aminoethyl)-N-ethyl-4-(4-methoxyphenoxy)butanamide?
The InChIKey is JSNAEVQDOKNMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-17(11-10-16)15(18)5-4-12-20-14-8-6-13(19-2)7-9-14/h6-9H,3-5,10-12,16H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-N-ethyl-4-(4-methoxyphenoxy)butanamide?
N-(2-aminoethyl)-N-ethyl-4-(4-methoxyphenoxy)butanamide has a molecular weight of 280.37 g/mol, XLogP of 1.66, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-ethyl-4-(4-methoxyphenoxy)butanamide is sourced from PubChem (CID 82354393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).