2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N,N-dimethylpropanamide

C16H26N2O3 — CID 43278795

IUPAC2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N,N-dimethylpropanamide
SMILESCCCNCc1ccc(OC)c(OC(C)C(=O)N(C)C)c1
InChIInChI=1S/C16H26N2O3/c1-6-9-17-11-13-7-8-14(20-5)15(10-13)21-12(2)16(19)18(3)4/h7-8,10,12,17H,6,9,11H2,1-5H3
InChIKeyWZIQBXBKHHUCSG-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.05
Rot. Bonds8

About 2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N,N-dimethylpropanamide

2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N,N-dimethylpropanamide (PubChem CID 43278795) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N,N-dimethylpropanamide
PubChem CID43278795
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N,N-dimethylpropanamide
SMILESCCCNCc1ccc(OC)c(OC(C)C(=O)N(C)C)c1
InChIInChI=1S/C16H26N2O3/c1-6-9-17-11-13-7-8-14(20-5)15(10-13)21-12(2)16(19)18(3)4/h7-8,10,12,17H,6,9,11H2,1-5H3
InChIKeyWZIQBXBKHHUCSG-UHFFFAOYSA-N
XLogP2.05
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.05
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

2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N-methylpropanamide
CID 43278792
N-[(4-methoxy-3-pentan-2-yloxyphenyl)methyl]propan-1-amine
CID 107890766
2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N,N-dimethylpropanamide
CID 60908130
2-[2-methoxy-4-(propylaminomethyl)phenoxy]butanamide
CID 62899820
2-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanamide
CID 63055739
2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 43278803
2-[2-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]-N-methylpropanamide
CID 63057446
N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine
CID 4717518
2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17290875
2-[2-ethoxy-4-(propylaminomethyl)phenoxy]-N-methylpropanamide
CID 43278181
2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]-N,N-dimethylpropanamide
CID 43622338
3-[(3,4-dimethoxyphenyl)methylamino]-N-propylpropanamide
CID 61061288

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N,N-dimethylpropanamide?
The IUPAC name of 2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N,N-dimethylpropanamide (CID 43278795) is 2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N,N-dimethylpropanamide is CCCNCc1ccc(OC)c(OC(C)C(=O)N(C)C)c1.
What is the InChIKey of 2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N,N-dimethylpropanamide?
The InChIKey is WZIQBXBKHHUCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-6-9-17-11-13-7-8-14(20-5)15(10-13)21-12(2)16(19)18(3)4/h7-8,10,12,17H,6,9,11H2,1-5H3.
What are the key properties of 2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N,N-dimethylpropanamide?
2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N,N-dimethylpropanamide has a molecular weight of 294.40 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N,N-dimethylpropanamide is sourced from PubChem (CID 43278795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).