2-[(2-chloro-6-methoxyphenyl)methylamino]-N-(3-methylbutyl)acetamide

C15H23ClN2O2 — CID 103292213

IUPAC2-[(2-chloro-6-methoxyphenyl)methylamino]-N-(3-methylbutyl)acetamide
SMILESCOc1cccc(Cl)c1CNCC(=O)NCCC(C)C
InChIInChI=1S/C15H23ClN2O2/c1-11(2)7-8-18-15(19)10-17-9-12-13(16)5-4-6-14(12)20-3/h4-6,11,17H,7-10H2,1-3H3,(H,18,19)
InChIKeyXONNSLBEQUUVME-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.60
Rot. Bonds8

About 2-[(2-chloro-6-methoxyphenyl)methylamino]-N-(3-methylbutyl)acetamide

2-[(2-chloro-6-methoxyphenyl)methylamino]-N-(3-methylbutyl)acetamide (PubChem CID 103292213) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 2-[(2-chloro-6-methoxyphenyl)methylamino]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[(2-chloro-6-methoxyphenyl)methylamino]-N-(3-methylbutyl)acetamide
PubChem CID103292213
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name2-[(2-chloro-6-methoxyphenyl)methylamino]-N-(3-methylbutyl)acetamide
SMILESCOc1cccc(Cl)c1CNCC(=O)NCCC(C)C
InChIInChI=1S/C15H23ClN2O2/c1-11(2)7-8-18-15(19)10-17-9-12-13(16)5-4-6-14(12)20-3/h4-6,11,17H,7-10H2,1-3H3,(H,18,19)
InChIKeyXONNSLBEQUUVME-UHFFFAOYSA-N
XLogP2.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-6-methoxyphenyl)methyl]-4-hydroxypentanamide
CID 103293468
N-[(2-chloro-6-methoxyphenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 103292336
tert-butyl 2-[(2-chloro-6-methoxyphenyl)methylamino]acetate
CID 115635465
1-[(2-chloro-6-methoxyphenyl)methylamino]propan-2-ol
CID 115634692
methyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate
CID 103292136
2-[(2-chloro-6-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 112683507
2-[(2-chlorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 108997926
N-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 115634738
2-[(2-chloro-6-hydroxyphenyl)methylamino]-N-propylacetamide
CID 78959666
2-[(2-chloro-6-methoxyphenyl)methylamino]-N'-hydroxyethanimidamide
CID 103292703
2-amino-3-[(2-chloro-6-methoxyphenyl)methylamino]propanamide
CID 103292977
N-[(2-chloro-6-methoxyphenyl)methyl]-6-methylheptan-2-amine
CID 104815707

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-methoxyphenyl)methylamino]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[(2-chloro-6-methoxyphenyl)methylamino]-N-(3-methylbutyl)acetamide (CID 103292213) is 2-[(2-chloro-6-methoxyphenyl)methylamino]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[(2-chloro-6-methoxyphenyl)methylamino]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[(2-chloro-6-methoxyphenyl)methylamino]-N-(3-methylbutyl)acetamide is COc1cccc(Cl)c1CNCC(=O)NCCC(C)C.
What is the InChIKey of 2-[(2-chloro-6-methoxyphenyl)methylamino]-N-(3-methylbutyl)acetamide?
The InChIKey is XONNSLBEQUUVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-11(2)7-8-18-15(19)10-17-9-12-13(16)5-4-6-14(12)20-3/h4-6,11,17H,7-10H2,1-3H3,(H,18,19).
What are the key properties of 2-[(2-chloro-6-methoxyphenyl)methylamino]-N-(3-methylbutyl)acetamide?
2-[(2-chloro-6-methoxyphenyl)methylamino]-N-(3-methylbutyl)acetamide has a molecular weight of 298.81 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-methoxyphenyl)methylamino]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 103292213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).