2-[2-chloro-6-methoxy-4-[(3-methylbutylamino)methyl]phenoxy]acetamide

C15H23ClN2O3 — CID 28548296

IUPAC2-[2-chloro-6-methoxy-4-[(3-methylbutylamino)methyl]phenoxy]acetamide
SMILESCOc1cc(CNCCC(C)C)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C15H23ClN2O3/c1-10(2)4-5-18-8-11-6-12(16)15(13(7-11)20-3)21-9-14(17)19/h6-7,10,18H,4-5,8-9H2,1-3H3,(H2,17,19)
InChIKeyBGHJQNXTJDQJPS-UHFFFAOYSA-N
MW314.81 g/mol
LogP2.35
Rot. Bonds9

About 2-[2-chloro-6-methoxy-4-[(3-methylbutylamino)methyl]phenoxy]acetamide

2-[2-chloro-6-methoxy-4-[(3-methylbutylamino)methyl]phenoxy]acetamide (PubChem CID 28548296) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 2-[2-chloro-6-methoxy-4-[(3-methylbutylamino)methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-chloro-6-methoxy-4-[(3-methylbutylamino)methyl]phenoxy]acetamide
PubChem CID28548296
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name2-[2-chloro-6-methoxy-4-[(3-methylbutylamino)methyl]phenoxy]acetamide
SMILESCOc1cc(CNCCC(C)C)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C15H23ClN2O3/c1-10(2)4-5-18-8-11-6-12(16)15(13(7-11)20-3)21-9-14(17)19/h6-7,10,18H,4-5,8-9H2,1-3H3,(H2,17,19)
InChIKeyBGHJQNXTJDQJPS-UHFFFAOYSA-N
XLogP2.35
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 52.35
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-[2-chloro-6-methoxy-4-[(2-methoxypropylamino)methyl]phenoxy]acetamide
CID 102696899
2-[2-chloro-4-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-6-methoxyphenoxy]acetamide
CID 4716345
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-methylbutan-1-amine
CID 17210561
2-[2-chloro-4-[(2,2-difluoroethylamino)methyl]-6-methoxyphenoxy]acetamide
CID 115405747
2-[2-chloro-4-[[3-(dimethylamino)propylamino]methyl]-6-methoxyphenoxy]acetamide;dihydrochloride
CID 17293104
2-[4-[(benzylamino)methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 4721633
N-[(3-chloro-5-methoxy-4-propoxyphenyl)methyl]-3-methylbutan-1-amine
CID 29226358
2-[4-[(but-2-ynylamino)methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 115866328
2-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylamino]-N-methylacetamide
CID 43214903
2-[2-chloro-4-[(cyclobutylmethylamino)methyl]-6-methoxyphenoxy]acetamide
CID 43298481
2-[2-chloro-6-methoxy-4-[[(1-methylcyclopropyl)methylamino]methyl]phenoxy]acetamide
CID 103724240
2-[2-chloro-4-[[2-(3-fluorophenyl)ethylamino]methyl]-6-methoxyphenoxy]acetamide
CID 35607506

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-methoxy-4-[(3-methylbutylamino)methyl]phenoxy]acetamide?
The IUPAC name of 2-[2-chloro-6-methoxy-4-[(3-methylbutylamino)methyl]phenoxy]acetamide (CID 28548296) is 2-[2-chloro-6-methoxy-4-[(3-methylbutylamino)methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-chloro-6-methoxy-4-[(3-methylbutylamino)methyl]phenoxy]acetamide?
The canonical SMILES for 2-[2-chloro-6-methoxy-4-[(3-methylbutylamino)methyl]phenoxy]acetamide is COc1cc(CNCCC(C)C)cc(Cl)c1OCC(N)=O.
What is the InChIKey of 2-[2-chloro-6-methoxy-4-[(3-methylbutylamino)methyl]phenoxy]acetamide?
The InChIKey is BGHJQNXTJDQJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3/c1-10(2)4-5-18-8-11-6-12(16)15(13(7-11)20-3)21-9-14(17)19/h6-7,10,18H,4-5,8-9H2,1-3H3,(H2,17,19).
What are the key properties of 2-[2-chloro-6-methoxy-4-[(3-methylbutylamino)methyl]phenoxy]acetamide?
2-[2-chloro-6-methoxy-4-[(3-methylbutylamino)methyl]phenoxy]acetamide has a molecular weight of 314.81 g/mol, XLogP of 2.35, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-methoxy-4-[(3-methylbutylamino)methyl]phenoxy]acetamide is sourced from PubChem (CID 28548296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).