2-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpentanamide

C17H28N2O4 — CID 119344793

IUPAC2-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpentanamide
SMILESCCCC(N)C(=O)N(C)CCCOc1cc(OC)cc(OC)c1
InChIInChI=1S/C17H28N2O4/c1-5-7-16(18)17(20)19(2)8-6-9-23-15-11-13(21-3)10-14(12-15)22-4/h10-12,16H,5-9,18H2,1-4H3
InChIKeyXMYXQCQFQGVPJF-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.06
Rot. Bonds10

About 2-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpentanamide

2-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpentanamide (PubChem CID 119344793) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpentanamide
PubChem CID119344793
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Name2-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpentanamide
SMILESCCCC(N)C(=O)N(C)CCCOc1cc(OC)cc(OC)c1
InChIInChI=1S/C17H28N2O4/c1-5-7-16(18)17(20)19(2)8-6-9-23-15-11-13(21-3)10-14(12-15)22-4/h10-12,16H,5-9,18H2,1-4H3
InChIKeyXMYXQCQFQGVPJF-UHFFFAOYSA-N
XLogP2.06
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]pentanamide;hydrochloride
CID 119306190
2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]pentanamide
CID 119298348
(2S)-2-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylpentanamide
CID 93367597
2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]pentanamide;hydrochloride
CID 119298347
(2S)-2-amino-N-[(3-methoxyphenyl)methyl]-N-methylpentanamide
CID 93367197
(2S)-2-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide
CID 79024598
2-amino-5-methoxy-N-(3-methoxypropyl)-N-methylpentanamide
CID 81088448
(2S)-2-amino-N-[3-(dimethylamino)propyl]-N-methylpentanamide
CID 107569740
2-amino-N-[(4-methoxyphenyl)methyl]-N-methylpentanamide;hydrochloride
CID 119266470
2-amino-5-methoxy-N-methyl-N-pentylpentanamide
CID 81082325
2-amino-N-(2-ethoxyethyl)-N-methylpentanamide
CID 81058843
(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide
CID 103831117

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpentanamide?
The IUPAC name of 2-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpentanamide (CID 119344793) is 2-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpentanamide.
What is the SMILES notation for 2-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpentanamide?
The canonical SMILES for 2-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpentanamide is CCCC(N)C(=O)N(C)CCCOc1cc(OC)cc(OC)c1.
What is the InChIKey of 2-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpentanamide?
The InChIKey is XMYXQCQFQGVPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-5-7-16(18)17(20)19(2)8-6-9-23-15-11-13(21-3)10-14(12-15)22-4/h10-12,16H,5-9,18H2,1-4H3.
What are the key properties of 2-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpentanamide?
2-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpentanamide has a molecular weight of 324.42 g/mol, XLogP of 2.06, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpentanamide is sourced from PubChem (CID 119344793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).