4-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]pentanamide

C15H24N2O4 — CID 120564115

IUPAC4-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]pentanamide
SMILESCOc1cc(OC)cc(OCCNC(=O)CCC(C)N)c1
InChIInChI=1S/C15H24N2O4/c1-11(16)4-5-15(18)17-6-7-21-14-9-12(19-2)8-13(10-14)20-3/h8-11H,4-7,16H2,1-3H3,(H,17,18)
InChIKeyXOJTURKETRWKKB-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.33
Rot. Bonds9

About 4-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]pentanamide

4-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]pentanamide (PubChem CID 120564115) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]pentanamide
PubChem CID120564115
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name4-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]pentanamide
SMILESCOc1cc(OC)cc(OCCNC(=O)CCC(C)N)c1
InChIInChI=1S/C15H24N2O4/c1-11(16)4-5-15(18)17-6-7-21-14-9-12(19-2)8-13(10-14)20-3/h8-11H,4-7,16H2,1-3H3,(H,17,18)
InChIKeyXOJTURKETRWKKB-UHFFFAOYSA-N
XLogP1.33
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-(3,5-dimethylphenoxy)ethyl]pentanamide;hydrochloride
CID 120561157
3-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-methylbutanamide
CID 120502387
N-[2-(3,5-dimethoxyphenoxy)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119822601
2-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]-3-methoxypropanamide
CID 120992852
4-amino-N-(3-phenoxypropyl)pentanamide;hydrochloride
CID 120559424
2-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]acetamide;hydrochloride
CID 119344811
5-(3,5-dimethoxyphenoxy)pentan-2-amine
CID 55137875
3-(2-aminophenyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]propanamide;hydrochloride
CID 120611913
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-(2-methoxyethyl)urea
CID 112975608
4-amino-N-[3-(4-methoxyphenyl)propyl]pentanamide
CID 120560980
3-(3,5-dimethoxyphenyl)-N-(2-phenoxyethyl)propanamide
CID 18111151
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-propylurea
CID 112975595

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]pentanamide?
The IUPAC name of 4-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]pentanamide (CID 120564115) is 4-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]pentanamide.
What is the SMILES notation for 4-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]pentanamide?
The canonical SMILES for 4-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]pentanamide is COc1cc(OC)cc(OCCNC(=O)CCC(C)N)c1.
What is the InChIKey of 4-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]pentanamide?
The InChIKey is XOJTURKETRWKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-11(16)4-5-15(18)17-6-7-21-14-9-12(19-2)8-13(10-14)20-3/h8-11H,4-7,16H2,1-3H3,(H,17,18).
What are the key properties of 4-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]pentanamide?
4-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]pentanamide has a molecular weight of 296.37 g/mol, XLogP of 1.33, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]pentanamide is sourced from PubChem (CID 120564115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).