2-[3-chloro-2-[(2-methoxyethylamino)methyl]phenoxy]-N-propylacetamide

C15H23ClN2O3 — CID 114320191

IUPAC2-[3-chloro-2-[(2-methoxyethylamino)methyl]phenoxy]-N-propylacetamide
SMILESCCCNC(=O)COc1cccc(Cl)c1CNCCOC
InChIInChI=1S/C15H23ClN2O3/c1-3-7-18-15(19)11-21-14-6-4-5-13(16)12(14)10-17-8-9-20-2/h4-6,17H,3,7-11H2,1-2H3,(H,18,19)
InChIKeyLDPSJVPJNNYVQS-UHFFFAOYSA-N
MW314.81 g/mol
LogP1.98
Rot. Bonds10

About 2-[3-chloro-2-[(2-methoxyethylamino)methyl]phenoxy]-N-propylacetamide

2-[3-chloro-2-[(2-methoxyethylamino)methyl]phenoxy]-N-propylacetamide (PubChem CID 114320191) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 2-[3-chloro-2-[(2-methoxyethylamino)methyl]phenoxy]-N-propylacetamide.

Molecular Properties

Compound Name2-[3-chloro-2-[(2-methoxyethylamino)methyl]phenoxy]-N-propylacetamide
PubChem CID114320191
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name2-[3-chloro-2-[(2-methoxyethylamino)methyl]phenoxy]-N-propylacetamide
SMILESCCCNC(=O)COc1cccc(Cl)c1CNCCOC
InChIInChI=1S/C15H23ClN2O3/c1-3-7-18-15(19)11-21-14-6-4-5-13(16)12(14)10-17-8-9-20-2/h4-6,17H,3,7-11H2,1-2H3,(H,18,19)
InChIKeyLDPSJVPJNNYVQS-UHFFFAOYSA-N
XLogP1.98
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-chloro-2-(hydroxymethyl)phenoxy]-N-propylacetamide
CID 114320622
N-[(2-chloro-6-propoxyphenyl)methyl]-2-methoxyethanamine
CID 114320190
N-[[2-chloro-6-(2-methoxyethoxy)phenyl]methyl]-2-methoxyethanamine
CID 114320091
2-[2-(2-aminopropyl)-3-chlorophenoxy]-N-propylacetamide
CID 114321885
methyl 3-[3-chloro-2-(propylaminomethyl)phenoxy]-2,2-dimethylpropanoate
CID 114319500
1-[3-chloro-2-[(2-methoxyethylamino)methyl]phenoxy]-3-methoxypropan-2-ol
CID 114320203
2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-ethylacetamide
CID 115954882
2-[[2-(2,3-dichlorophenoxy)acetyl]amino]-N-propylacetamide
CID 9286556
2-[[2-(2-chlorophenoxy)acetyl]amino]-N-propylacetamide
CID 9011744
N-[[2-chloro-6-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]propan-1-amine
CID 106437071
2-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethoxy]acetamide
CID 114162139
N-[(2-chloro-6-octoxyphenyl)methyl]propan-1-amine
CID 114319420

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-[(2-methoxyethylamino)methyl]phenoxy]-N-propylacetamide?
The IUPAC name of 2-[3-chloro-2-[(2-methoxyethylamino)methyl]phenoxy]-N-propylacetamide (CID 114320191) is 2-[3-chloro-2-[(2-methoxyethylamino)methyl]phenoxy]-N-propylacetamide.
What is the SMILES notation for 2-[3-chloro-2-[(2-methoxyethylamino)methyl]phenoxy]-N-propylacetamide?
The canonical SMILES for 2-[3-chloro-2-[(2-methoxyethylamino)methyl]phenoxy]-N-propylacetamide is CCCNC(=O)COc1cccc(Cl)c1CNCCOC.
What is the InChIKey of 2-[3-chloro-2-[(2-methoxyethylamino)methyl]phenoxy]-N-propylacetamide?
The InChIKey is LDPSJVPJNNYVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3/c1-3-7-18-15(19)11-21-14-6-4-5-13(16)12(14)10-17-8-9-20-2/h4-6,17H,3,7-11H2,1-2H3,(H,18,19).
What are the key properties of 2-[3-chloro-2-[(2-methoxyethylamino)methyl]phenoxy]-N-propylacetamide?
2-[3-chloro-2-[(2-methoxyethylamino)methyl]phenoxy]-N-propylacetamide has a molecular weight of 314.81 g/mol, XLogP of 1.98, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-[(2-methoxyethylamino)methyl]phenoxy]-N-propylacetamide is sourced from PubChem (CID 114320191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).